SCIENTIFIC ABSTRACT KRISTOFEL, N.N. - KRISTOL, F.M.

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• Collection: Scientific Abstracts
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• Sequence Number: 3
• Publication Date: December 31, 1967
• Content Type: SCIENTIFIC ABSTRACT

MMW ~51-DPW
------ ---
KRISTOFELO, N. N. Cand fts-11ath Soi -- (diss) "Quantum-4noohanioal oaloulation
of adiabatio potentials and oertain properties of the oenters of luminesoonce
in alkali-ohaloid orystal phosphori.0 Tartu, 1959* 11 pp (Tartu State Univ),
225 oopies (KL, 46-59, 136)
-6-

24(4), 24(2)
AUTHOR: Kris tofal NX
SO-1/51-7-1-11/27
------------ Calmilation of a Lum1noscen-7o Contra in ACl-Tl.
TITLE: A Quantum-Machanical
(Kv&ntovomekhanichesk1,y ruschot t3entra lyuminolitAontrii 1; KC1-Tl"
PISRIODICAL: Oplvika I sp6ktroskopiy&, 1969, Vol 7, Mr 1. pp 7B-8~ ~VSSR)
AB3TRACT: The author described earlier (Rof 1) a quantum-co,~hanical method of
calculation of the adiabatic potantials of lum1nascnnz.-e contras in
alkali-halide crystal phosphors. Using this method -the author discussed
the ISO- and 13PI states of a luminescence contre in KG1-T1 (the
results for the ISO- state -xsre given in an earlier papoi, Rof 2). The
present paper reports results for the ox4;ited state and the spectral
properties of such a contre. Bach contre Is assumed to consist of
activator ions which replace one or more cations at a lattice site.
,The activator electrons are assumed to interact -with local vibrations,
The number of Iona in one cantre is equal to the number of Ions taking
part in interactions with local vibrations. It is also assumed that
the activator ions interact only with fully s4motrical local vibration-,
The adiabatic potentials of the 1%'%,- and the -'?I- states are shown aj
curves 1 ano 2 ip. Fig 1. Fig 2 shows the empirical (dashed curve) and-
ca rd 1/2 theoretical (continuouR crarve) spaAra or a luminasrance contra in Xkll-'41,

qu.antum-Machanical Calculation of a Luminescenc6 Contra in KC1-Tl S OV/ 51 -7 -1 -11/2 7
The empirical spectrum wait talcon frcm Ch.13. Lu3hchilc at al (Ref qU). The
theoretical spectrum, deduced rrcm the lumineic-6nce contra model de3~-.-ibrrl
above, agreed quite well with the empirical on4. Mar spectral pro-porti,-
of a luminescence contra (4,Ach as the wnission and absorption half-vadthl
,.,alculated by the author are g%yen, toeAti%ar %Ith corresponding
experimental val.-josp (takea from Raf 7). In Table 3. For all these
properties the agreata6nt betwonn Vitonry and experiment is food an~
consequently the author concludes that the res~,alts obtained ty him conf.Lrm
the assumed model of a lumineac-once contre in Z01-TI. The present paponr
will be published in an extends', form in ~'Tr-.:dy IF,,. P-11 Sotonskvy SSR.".
Acknowledgment is made to U4, Potrashan' who direntai and helped In trar.
woric and to K.K. Robans and Ch.B. Lurhchik for their advic-e. Thero a.-(.
2 figures, 3 tables and 14 referan,~ei, 8 of v4iich are Soviet and 6 Englieh.
SUENaTTEDs January 10, 1959
Card 2/2

233~7s,
8 'CCO/G'C,6/,-23/a3
.2 t/ Ible -~e AC.~-) 1 /A 10 11
,, 1~4 0)
77he b~-.ni larergi ir. TlCl cry2tal~!
FEKCDICAL~, Referativnyy zhurnal. Pinks, no. 6, 19-_`~, 1,77-178, ht,,21.ra7~, 6V32,1
("Tr . in- ta f iz. I astron. AN Es+1331V , 1c)i5,0, no. 1, 262 - 263)
ISYT! The v,+hsr- points olst that thi, enprgy of "r=_rcint" in- ,
f-;r ~h-~ !,~,n pair 11 C'- I
~L:~Phcr, ~_an tf!
f,.r q%an-um-meihanical 2s1cA&t!cns of the bond ~nqi,Ay
of 1.h~- TICI zrystal followng foryrula was otl-alnei f:,r ~hp, bcnd energy V
tz I ~.
1,in V "I 1.763,/a+8 [o.0147-0.0)09 W - 0.02-20 ~a_r, . 9!4,
0
(23r-/ a.- -4 1371 ja j, where NA is Avogadrc number ( a is separa-,icn between _,~,na
If T1 and Cl-. 'Me flrar T-.erm repreeent-s Made-lung a energi, 'he zec=d term is
the sum of an "alectr~~,'_at!caj ccrre_,ti,:n" for --f lons, th,~ ex~hdnge
5nergy and S-energy which takes Into account non-.)rth~,grnality at' the t--n wave
'Th-,~ IAtt ~,rmr-,rrsi~,cnde to mulll,,Dle Inlioera,:-Icn~*, Am q result, 1,
Wa3 OL-11ned.. ao - '40 , V - - 171.5 kcal/mol, whi,,h covr,~poni t:. experimental
val,,Ie_~ ~iqua: t-- a - (T - 200C) and V a -170.9
rAbz~,,Ia7~-~.r'n n~_te-, 0,)mpj~7te ~mnslatfonl
N. Mak3lmva
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S10 51/60/009/014%3/03 4
E201/E191
AUTHORS: Petrashen', M.I., Abarenkov2 I.V,,, and Kristofel',N.N.
TITLE: Approximate Wave-function3 of Free Ioiis-and of_io-iii-_'
in a Crystal
PERIODICAL: Optika JL spektroskopiyaj 1960, Vol 91 No 41 PP 527-~29
TEXT: In quantum-mechanicalI~alculations of properties of
alkali-halide crystals, the one--e-lectron functions of' free ions
are used as the functions of ions in a crystal. This approach is
not very satisfactory. The present note describes a simple method
of calculating approximate one-electron functions of a "central
ion" (CI) in an 1on1c crystal. The one-electron functions of a
free CI are assumed to be known. They are then modified by
allowing for the effect of other ions in the lattice, regarded as
geometrical points. The new functions are known as crystalline
one-electron functions and they can be used in the zeroth
approximation of the perturbation theory. The next step would be
an allowance for the departure from the assumed point gecmetry of
the lattico. The calculation method described here was tested by
calculating diamagnetic susceptibility of a crystal.
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83923
s/o W6o/oOq/oO4/0-23,/034
9201/H191
Approximate Wave-functions of Free Ions and of Ions in a Cry5tal
It was found that the results obtained with crystalline functions
agreed better with experiment than the results deduz.-ed using
free-lon functions. The paper is entirely theoretical.
There are 6 referencess 1+.Soviet, 1 English and I German.
SUBMITTED: April 16, 1960
Card 2/2

- - -IRIST073MI-31N. -
Interaction between the activator and in completely symmetrical
local vibratioun, Opt. i spektre 9 no.51615-62o N l6o.
(Iminescence) . (NDA 13 111)

- - - - -- e-
- -- - --- -- -- - -- -- - - -- -- - - - - - I- - - - -- - - - - - - --- --- - -- - - -- - --- --
PPMSEWI, K,I,; ABARZMDT, I,V,;imz�Torn, , NON*
Approximate ways functions of free ions and ions in crYstals. Test
I,GU 15 no,16:7-21 160o (MIRL 1318i
(IOAS) (Wave mechanics)

Stability of structures of the cesium and sodium chloride type
in TIM crystals. Fiz. tver. tela 3 no.6:1876-1878 Je '61.
(MM 14:7)
1. Institut fiziki i astronom1i AN Estonskoy SSR, Tartu.
(Thallium chloride crystals) (Cesium chloride crystals)
(Salt crystals)

ARMKOV IN.; ?41<~FELIV N.N.j PETRASHENt M.I.
Calculation of the optical properties of small-radius electron
centers in ionic crystalse Opt. i opektr. 10 no-414,87-492 Ap, 161.
(Ionic vrystals-Spectra) (MIRA 140)

3/058/62/ooo/co8/02/134
Ao6l/A101
ALMIOR: .-Kristofell, N. N
TITILE: A contribution to the theory of excess valency impurities in
ionic crystals
PMIODICAL: Referativnyy zhurnal, Fi4ika, no. 8, 1962s 42, abstract 8V293
("Tr. In-ta fiz. i astron. A14 EstSSR", 1961, no. 15, 3 - 20; sum-
marl in English)
TEXT: The quantum-mechanical method of calculating the properties of
impurity centers in ionic crystals is generalized to the case of Imp4rities of
anomalous valency. Energy corrections of the ion-multipole type are absent when
use is made of ionic wave functions, and the deforming effect of the poiAt lat-
tice field is taken into account. The said corrections occur in the case of im-
purities of anomalous valency. Calcdlations are made for the formation ener-
.gies, the shifts of equilibrium positions, and the frequencies of local vibra-
tions for the cationic and anionic vacancies in KC1. A quanioptical local vi-
bration develops here. The ground state of a center due to a Ge2+ ion building
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Alcontribution to the theory of ...
S/058/W~/008/042/134
Ao6i/Aloi
in the KU cationic lattice point is calculated, and some characteristic fea-
ture3 of such centers are discussed.
[Abstracter's notes Complete translation)
Card Z/2

S/613/61/000/017/001/011
D051/DI13
AUTHOR: Krintoffelp N.N.
.TITLE-. The effect of the type of host crystal structure on the spectral
characteristics of phosphors
.SOURCE: Akadomiya nauk Eatonskoy SSR. Institut fiziki i astronomii.
Trudy, no. 17, 1961. Isaledovaniya po lyuminesti3entaii) 3-20
TEXT: Since the effect of the type of host crystal structure on the spec
;tral characteristics of phospaors with built-in activators is insufficientlyi
.studied, the phosphor KCl-Tl in the struc*tural form of a CaGl crystal was
~investigated. The quantum-meahanical method of calculating the adiabatic
potentials of centers of luminescence, which had previously been used for a
,phosphor with an NaCl host crystal, was used in this case. The result of a
:caloulation for KCl-T1 based on single-oooillation approximation,did not
:convey the changes observed in the spectra of this phosphor; the maxima of
'the spectral bands shift in the opposite direction. The Jahn-Toller effect
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S/613/61/000/017/001/011
;The effect of the type D051ID113
~was examined for the center of lumineooence in a host crystal of the CSC,
~type. The adiabatic potential minima co=respond to the nuclear configu-
:rations.of symmetry D3h and D the D3h minima being equilibrium potential
2h'
!The difference in the corresponding spectral effects for centers of both
,~struoturee allows them to be identified. Theis are 7 figurea.and 3 tableeal
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?/
,7#-,,3s-40 ( /
AUTHORs Kristofell, N. N.
22188
8/048/61./025/004/057/048
B117/B212
TITLEs Interaction between an activator and not completely symmetric
local vibrations
PERIODICAL: Izvestiya Akademii nauk SSBR. Seriya fizicheskaya, v. 25,
no. 4, 1961t 533-535
TEXTt The pre" ent paper was read at the 9th Conference on Luminescence
(crystal phosphors). The author has used the theory of perturbation to
calculate the interaction of an activator with not completIly symmetric
vibrations. Concrete calculations have been made for the P1 term of the
center in KCl-Tl. Only shifts of neighboring activators have been taken
into account. The frequencies of local vibrations have been calculated
with a method described earlier (Ref. 1s Tr. In-ta fiz. i astron. EstSSR,
no. 10, 3 (1959)). In contradiction to "longitudinal" vibrations the
frequencies of "transverse" vibrations will be increased during excit ation
of Tl It has been shown-that symmetric vibrations (normal coordinates
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22188
S/04 61/025/004/037/048
Interaction between aness B117YB212
Yj and Y2) will lead to a minimum of the adiabatic potential and the
symmetry of the center will decrease to D 4h' There are three similar con-
figurations for balanced conditions which differ in the direction of the
symmetrical axis of 4th orders the Ildambbell" of the 6p-function of +the
Tl+ is orientated along it. Cl-ions move away on this axis fron, T1 by
0.110 A, and they approach it normallj by 0-055 A- In steady-sLate con-
figurations there is a non-abnormal and a doubly abnormal level with
relative energies of 0.065 reap. 0.13 ev. This splitting up iR lesser than
that of a multiplet. It the point y, a Y2 - 01 it corresponds to the
steady-state configuration of the ground state, all three "leaves" have
the same, i.e., zero value. Centers with big radius interacting with
crystal vibrations do not seem to have the Jahn-Teller 2ffect. The
calculated results make it possible to explain the low temperature
polarization of the 3P,____~130 radiation in KC1-Tl as found in Ref. 4
(C. Kliok, W. Compton, J. Phys. Chem. Solids, 170 (1958)) and assign to
it a vibrational character. Due to the Jahn-Teller effect the emission
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_7 7i
0 e
S/040/61/025/0 4~63 00
'Interaction between an ... B117/B212
bands might be non-elementary under certain conditions and eve 'n show a
splitting in the absorption spectrums By using the adiabatic potentials i
of the single-oscillator approximation (in ev and A)t
2 3 )2 (Ref.
I( so) 18.0(q - 0-093) 9 1( PI) - 4.34 + 11.4(q + 0.065 1) and
the results of this paper the spectral characteristics of Is 4 )3
P bands
0 1
In XCl-Tl have been calculated by taking into account the not completely
.sy=etrio vibrations (Tables in ev) . These contribute -18% to Stoked!
losses (E~ - EI) and 6.-10% to the half -width. The activator will react
m m
much stronger with not completely symmetric vibrations in alkali halide
phosphors. This explains the relatirely good applicability of the single-,
oscillator approximation. If a uniform compression is investigated, the
not completely symmetric vibrations are not essential in a quasi-molecular
model if this effect does not bring about a change of steady-state values
of corresponding vibration coordinates. S. A. Moskalenko has stated the
following in a discussion about this papers A localized center will not
change the symmetry of the lattice and the interaction will take place
with vibrations having the wave veztor 0. Therefore, a decrease of
'Card 3/4

S/048/61/025/004/037/048
Interaction between an*## B117/B212
the symmetry must not necessarily take place in this problem and the
splitting of the center level cannot be understood. It could be under-
stood if it would be due to the interaction with lattice vibrations
having the wave vector 7 ~ 0. K. K. Rebane has said to the same paper:
The symmetry considerations seem to bo correct. But the applicability of
the quasi-moleoular model is not proven. There are I table and 6 refer-
encess 2 Soviet-bloo and 4 non-Soviet-bloo.
ASSOCIATIONs Inatitut fiziki i astronomii Akademii nauk EstSSR (Institute
of Physics and Astronomy of the Academy of Sciences
Estonskaya SSR)
Legend to the tables
1) Single-osoillator approxima-
tion; 2) having taken into
account the not completely
symmetrical vibrational
3) experiment.
A4,
fn
Z, I jr-,-Z.,

OAllooenwax-ropisoe
UP25ANNORMS 4,64 3,90 0,74
C Yq"OM Menonsocuu-
M" )ILUUI MoReGa.
N
I 4,66 3.76 090 0.25 50
1 0.
OXCU02nmew 5.02 4,06 0:96 0,23 0,51
4)
2)
3)
Card 4/4

TOLPYGO, K.B.;4KRI STOFFELO N., red.
(Theory of vibratiou of Motal lattia"-with deforued
atoms] Toorii kolsbanil kristalliobeskikh reshetok a do-
formiruemymi atonamil lektaiit proohitannye v le~Lei swcole
po toorii tvardogo tola, Tartu-Tyravere, iiun' p51,
Urtuskii goo, unov, V61,2. 1962. 17 p. OILA 1614)
(Crystal lattioes--Vibration) (Dialooation in orystals)

B/181/62/004/001/006/052
B102/BI38
AUTHORt Kristofellp No No
TITLEi 'Theory of vibrations of a lattice with defects
PERIODICALs Fizika tverdogo telaj v. 4, no. 1, 1962, 52 - 58
TEXTs A monatomic chain consisting of N+1 atoms (N is even) is considered,
containing an impurity atom in its central site (n-0) and anchored at ita
ends. Neighboring chain links are assumed to interact quasielastically.
The constant of the binding forces of the chain atoms is denoted by ki
that between impurity and chain atoms by r. The mass difference between
impurity and chain atoms is neglected*. xn is the displacement of atoms
in an ideal chaint being the distance to their equilibrium position x(o)
n
is their displacement caused by the introduction of an impurity. The
chain is assumed to maintain its length when the impurity is introducedo
their end atoms have the positions n W2. Then
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B/iOl/62/004/001/008/052
Theory of vibrations of go. B102/B138
X(O) D -1 N
[I -I- P 1)] n) (n > 0),
xr=O, (4)
D
x(o) p (N -Inj) (n ~ P1 tr,nsition in the luminescence centro of' tho crystal
phosphor KCI-TI. The calculation is based on the model of the
luminescence centre of the associated theory which was given in
the previous papers by the second of the prosent'authors
(Tr.IFA AN ESSR, No-79 85, 1958. Mater. VII soveshchenaiya po
lyuminests., 49, Tartu, 1959; Tr. IFA'AN ESSR, NO-10; 3, 1959;
No.11, 180, 1960; Opt., i spektr., 7, 78, 1959; Opt. i spektr.,
io, 487, 1961). In an ionic crystal electron densities of the
various ions overlap and hence the wave functions for the
activator do not take the form of the wave functions of the free
activator simply perturbed by the crystal field. They do in
fact untain an admixture of wave functions due -to the base ions.
Card 1 2

On the applicability of.... S/051/62/013/002/005/614
E032/E514
This effect in very dependent on the interionic diatdnce and
varies during the ion vibration process so that the electronic
matrix elements depends on the nuclear coordinates R. A
consideration of the numerical results of those calc7ilation:i loads
to the conclusion that the Condon approximation is very adequate
for the 15 -) 3P transition in KC1-Tl. There aro'3 tablez~.
0 1
SUBMITTED: June 1, 1961
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s/613/62/000/018/013/013
E039/E12O
AUT11ORj Kristofelf, N.N.
TITLE: on the possibility of discovering local vibrations in
the Raman spectra of crystals
SOURCE3 Akademiya nauk Estonskoy SSR. Institut fiziki i
astronomii. Trudy-no.18. 1962. Issledovaniya po
lyuminestsentsii. 149-152
TEXT: only local vibrations of U-centres have to date been
observed in the infrared spectra of some alkali halide crystals,
The Raman spectra of crystal phosphors are of special interest as.
they must display local vibrations corresponding to interactions
with electron defects in optical clectron,vibration transitions.
The intensity of Raman spectra for local vibrations in much less
intense than that of the first order spectra of such crystals.--
Hence crystals in which the first order in absent (the alkali
halides) are investigoted with the aim of discovering the first
order peaks from local vibrations on the background of the
continuous.second order spectra. Frequencies connected with
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On the possibility of discovering 5/613162/000/018/013/013
E035/E120
anion and cation vacancies for KC1, NaCl and N&F are 3.91, 2.53
and 3.83 x 1013 sec-I for anions, and 3.20, 3.22 and 3.83 x
x IoI3 sec-I for cati-ons, reepcretively-. . The frequency of local
.vibrations about.F centres is larger thap about anion vacancies
For example, a frequency of 4.08 x 1013 a'ec-I in obtained for
0 centres in NaCl. For a more detailed elucidation of the question
it is necessary to study the effect of changing the number of
defects (vacancies) on separate parts of the Raman spectra.
SUBMITTED: March 2, 1962
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KFISTOFEL N.N*j ZAVTj G.S.
International Congress on Lattice Dynamics, Copenhagen, Denmark
5-9 Aug 163
Institut do Physique at d'Astronomie de I'Academie des Sciencps do
la R.S.S. d'Estonie, Tartu Observatoirep Tartu, U.S.S.R.
Title of Report- Einige Fragen der Theorie von Schwingungen in
Fremdionenent-haltenden-ionankristallen.
'Iva

L-11155-63 EWr(l)/BDS--AFFr(;/A,9D
ACCOSION MR: AP3000600 8/0181/63/005/005/149/V-85
AUMOH: Kriotofell. X. M; ZiLyt, G. S.
TIM: The Condon approximation and t1vi optical properties of czafa-
Vf
SOURCE, Mika tverdogo tela, V- 5, no. 5, 1963, 1n9-1285
TOPIC TAM: Impurity ceatera,, Jhbzt-Teller effect, Condon approximation, absorption
bands
ABSTRACT: The authors discuss spectral phenowas resulting from the breakdown of
tb-e Condon approximation: the dependence of the Integral spectrum on tenpemture
and the appearance of spectral bands "forbidden* in a rigid lattice. They investi-
gate the symetry of vibrations that cause breakdown of the Gondon approximation and
"-pe_zv.it" nonMiabatic transitions, using as an example the traasitioa sup 1 8 sub 0
to 3up 3 P sub I in KCI-71. They show t,:Lat under certa-ia conditions of splitting
the adiabatic potential the consequences of the Jahn-Teller effect, aA a resvLt of
breakdwn of tha Condon approximation, mty lead to splItting at' the absorption
bead This foUcva from Equation (1). 'Mie authors conclude ttat breakdcr4u of the
Condon approximation, the Jahn-Teller ef-ect, &nd the nonadi&batic behavior should
b,e consitlered as related phencmena in tho theory of cptica.1 proper-ties of iWurity
centers. With this In mind they think in possible to predict aev effects, the
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L M55-63
Acassios xR: Anooo6oo
dxperimental d1scovery of which my be pcosibly brought about by microwave
techniquea. Orig. art. has: 12 formilas.
ASSOCIATION: Institut fiziki i astronondi AN EstSSR, Tartu (lastitute of Pbysics
and Astronosq AN RetSaR)
sumu=: l6Nov62 DM ACQ: n.%n63 IBM: 01
SUB COEE: PH 10 IMF 807: 007 a=m oo6
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------------ .......

VUSTOFFEL, N.N.; REBARp K.JK.
- ---------
Some-problems of the theory of luminescent centers in crystalline
phoaphors. Ohekhoal. fis shurnal 13 no.3t2lO 163.
1. Institute'of Physics and Astronomy of the Estonian Academy of
Sc#ence, U.S.,S.R.

MUSTOMI N.H.; REUN&~ A.X.
- -
Some problems of the theory of luminesoance centers in
a~rptalline phosphors. Co. cas fyo 13 no.3t241-256 163.
lo Institut fNkI i antronomiij Akademiya nauk ESSRO, Tax-tua
0 -

KRISTOFELIP N.Y.; REBARE; K.K.; SILID, 0.1.; KHIZHMYAKOV, V.V.
Causes of the difference between the hal-f-width of the abuorp-
tion and amiosion bands of cryatal phosphors, Opt. I spektr. 15
nu.4:569-572 0 163o (MIRA 161l1)

Hartree-Fock's equatione for noi,;kitul cri.itals.
no.100-15 163.
(Crystallography)
Vest. bw 18
(MM 16:8)

KRISTOPTLI, N,N#
Calculating the lattice distortion around an impurity in an ionic
crystal, Fiz. tvar. tela 3 no.8t2367-2369 Ag 163. (MM 16:9)
1. Institut fiziki i astronomil AN Estonskoy SSR, Tartu.
(Ionlo crystals--Defects)

ACCIIIIISSION NO: AT3013077
B/2613/62/000/021/0003/0011
AUTHOR: Kristofel't N. N.~
TITLE: More precise formulation of an excited state luminescence center theory
SOURCE: AN EetSSR. Institut fiziki i astronomii. Trudy*, no. 21t 1962, 3-11
TOPIC TAGS% luminescence center, activator, adiabatic Potontial, degeneration,
equilibrium configuration, anisotropy, admixture electron cloud
ABSTRACT: Formulae have been presented for the parameters determining the adiabatic
potential of luminescence centers in Flu-state with cubical symmetry (NaCl lattice
type), taking into account the asymmetry of the interaction between the activator
and its proximity. The expression for the luminescence center adiabatic potential
is reproduced from the author's previous work (Trudy* IFA AN ESSR, No. 10, 3, 1959;
No. 11, 180, 1960). The possibility for minimizing the adiabatic potential on
various linear combinations of p-funotion degenerate states in investigated. A
solution is presented first for a single oscillator model and subsequently for non-
fully symmetria oscillations contributing to the shift in ion equilibrium configu-
ration. An equilibrium configuration for the ions in the F,U-atate is derived,
Card 112

ACCESSION NO: AT3013077
iindicating the Jan-Teller effect to be completely due to the anisotropy of the
:admixture electron clouds. Orig. art. has; 18 formulas.
ASSOCIATION: AN EetSSR. Institut fiziki i astronomii (AN EstSSH. Institute of
;Physics and Astronomy)
-s.uBmiTTED, oimarQ DATE ACQt 11Sep63 ENCL: 00
,SUB CODE: PH NO REP SM 006 arm: 000
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ACCESSION Not AT3013076
T',1T12: Selection rules for nonadiabatio transitions
S/2613/62/000/021/0012/OOi9
STME1 AN Bet5sa. Institut MAI, i astronmiip Trudy,*t no. 21, 1962t 12-19
TOPIC TAGS: nonadiabatio transition, point group# electronic state, optical
tr4nsition
WrRACT: The problem of nuclear vibration symmetry permitting nonadiabatio transi-
tiona from I.to A electronic states has been considered. The investiCation waG
conducted in conformity with admixture centers with small radii in Ionic cryntalst
and utilized the rule of electron-vibration transition selection of forbidden riCid
lattices. The electron wave function is expandedin. power series, in terms of normal
coordinates of vibrating nuclei. These are then transformed through a symmetric
operation to an irreducible point group oymmetr7 representation of admixture center-
quagimolecules. Thus it is shown that in the approximate Condont nonadiab%tic
transitions between electronic states et andp, whose symmetry coincides with the
perturbation symmetryq can be resolved to a corresponding optical transition
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ACCESSION NO: AT3013078
~rjxr. X,r. 0)
Ebcamples are cited for the resolution of such transitions in alkali-halide normal
luminescence centers. '"Ihe author expresses his Oatitude to K. K. Rebane for his
influence on this work." Origo art. hast,10, fox=las.
ASSOCIATION: AN EstSSR. Institut fisiki i astronomii (AN 3stSSR. Institute of
Physics and AstronouV)
SUMa=: 29Apr62 DATE ACQ:, 113op63 ENCL: 00
SUB CODEt PH NO REP SOVt 009 OMM 1 006
,C(,,d 2/2

:ACCESSION NR: AT4020791 S/2613/63/090/023/0003/0017
,AUTHOR: Zavtj Go Sol KrIstofell, No No
.TITLE: Localized vibrations In Ionic crystals with an Isotopic defect
sbURCE: AN EstSSR. Institut fIzIkI I as-tronomil. Tru~dy*, no. 23, 1963.
Issledovanlys po, lyuminestsentsil (Research In lumin4sconce), 3-17
;TOPIC TAGS: crystal, Ionic crystal, crystal vibratlon, cristal defectp crystal
.structure Isotopic defects alkali halide crystal lattice
-J
ABSTRACT: The authors develop a theory for the localized modes of vibration
which arise In NaCl type Ionic crystals In the case of an Isotopic substitution
of one of the lbtfice Ions. Us4f ofthe Green 'fudctIdn In harmonic approximation
was proposed by Lifshits (I. M. Lifshits, ZHErF, 17, 1017; 1076, 1947; ZHETF, 16,
243, 1948). Before proceeding to an analysis of thevibrations In defective cry-
stals, the authors reduce somewhav the equations of-motion of an Ideal lattice.
~lt Is shown that,[Afor the development of localized vibrations In lattices with
;similar ion masses. the Impurity must be, on the average, twice as light as the
;substituted Ioni. There Is a detal,led study of the localized mode frequency as a
;function of the Impurity mass for NaF, Computations are made for the loc liz d
M)rajl n mode.frequencies of U-centers of H' and r types for 10 Ionic I:ttI'C9Qsj

1ACCESSION NR: AT,4020791
And It Is shown,tbat the results of these calculations are In agreement with
,available experimental data;wIth the exception of KI the difference nowhere ex-
ceeds 10%. The,atithors also note that a triplet, and not a single frequency, Is
observed In the spectra. The authors attribute this splitting to a change In the
Interaction constants around 0e defect. "The authors wish to express their gratl-~
itude to Mo I* Korinfelld and 0. N. Hirlin for their discussion of the problems
Iralsed in the article." OrIg. jart. has:, 2 tables,-l figure and 28 formulas.
'ASSOCIATION: IKSiiITU[T FIZIKIIASTRONOM11 AN ESTSSR "(Institute of Physics and
Astronomy)
~SUBMITTED; O4Jan63 DATE ACQ: O7Apr64 ENCLs 00
SUB CODE: -PH NO REF SOV: 002 OTHERs 017
2/2
.Card
1- 117: 1.
FI-
PW

ACCESSION KRt AP4043031 S/0023A4/000/002/0087/0109
!AUTHORS2 Rebane, K. K.Y Trifonovo Yes De;
.Khizhnyakov, V. V.
:TITLE: Dynamics of a lattice with impurities and quasi-line elec-
itron-vibration spectra of crystals
SOURCEs AN EstSSR. Izv. Seriya fiziko-matematicheakikh i tekhnich-
,eskikh nauk,, no. 2, 1964# 87-109
TOPIC TAGS.- crystal lattice vibration, impurity spectrum, electron
spectrum,~'line spectrum& crystal lattice theory, Mossbauer effect,
i
Raman scattering
ABSTRAM This survey article brings up to date an earlier report
I(N. N. Kristofell and K. K. Rebane, Pizika shchelochno-galoidny*kh-
I
ikristallov (Physics of Alkali-Halide Crystals]Riga, 1962, pe 32)-4n
I
alight of three major developments that have occurred during the"
1/3

jACCESSION NRs AP4043031
elapsed time. The first is the progress in the theory of crystal-
lattice dynamics, particularly the character of distortion of the
crystal lattice near impurities, which has made it possible to pre-
dict various types of oscillations in electron-vibration and related
processes. The second is the application of the Mossbauer effect to
the study of local lattice dynamics. The third is the better under-
standing.of the closed.connection between the interaction with
electron-transition vibrations and the analogous problem of gamma
transitions in an atomic nucleus contained in the crystal (optical
analog of the Mossbauer line and the Shpollskiy effect). In addi-
tion, the number of experimental researches on the direct study of
idynamics of the lattice near crystal defects, including locql os-
cillations, has greatly increased during the past few years., It is
pointed out in the conclusions that principal interest attaches to
further development of the theory of the purely electronic line and
performance of exact experiments aimed at ascertaining how narrow
they can be and how close the-analogy between the Mossbauer line
2/3

ACCESSION NRs AP4043031
land the purely electronic line actually is. Further development of
the theory of vibrations of impurity molecules in crystals and fur-
ther research with the aid of the Mossbauer effect are urged. The
section headings are: 1. Introduction. 2. Local and pseudolocal
oscillations. 3. Electron-vibration transitions and local lattice
dynamics. 4. Raman scattering of light. 5. Infrared absorption
spectra. 6. Mossbauer effect and a few other phenomena. 7. Con-
cluding remarks. Orig. art. has: 2 figures, 2 formulas, and 1
table.
ASSOCIATIONs None
SUBMITTEDs 12Mar64 ENCLs 00
SUB CODE: OP# SS NR REP SM 066 OTHERt 068
C-ard 3/3

ACCESSION NRs AP40284"
S/0181/64/006/W4A246/120
AUTHORSt XrisUt4X1,V.,N. V.1 Tyurkson,, Z. Be
TITLEt Computation of the properties of the pair vacancy in alkali halide
Crystal
SouRcEs Fisika tvardogo telat ve 6# no. 4t 19640 IU6-1248
-TOPIC TAGSs alkali halide crystal, crystal defect, pair vacancy, equilibrium
point shift, ionic vibrational frequency, KC1 crystal, induced dipole, ion
dipole interaction
ABSTRACTj The properties of the pair vacancy,, a structural defect of adjacent
anion and cation commonly occurring in alkali-halide crystals, are investigated,
The pair vacancy and Its hearest neighbors are shown in Fig, 1, of the Enclosure*
At sufficiently close neighboring ionsp the electric field due to each of the
two vacancies in non-zero. Thusp an ion-dipole interaction occurs betwofn the
charges of the defect and the induced dipoles* The interaction energy is given
by
02
Card
113

ACCESSION NRj AP4029466
where,9 a in the polarizability of the a-th ion, and R and R' are.the distances
from the centers of the vacancies to the m-th ion, Oficient accuracy In
obtained by considering only the 10 merest neighbors and their remaining 34
nearest neighbors. The shift of the equilibrium position from that of the ideal
crystal in shown In the figure for each of the 4 non-equivalent groups.: 1; 2, 3#
4# 5; 6# 7t Sp 9; 10, An expression for this shift in given aaaumIQ the shift
is directed along the coordinate axes as indicated in the figure,, I, a,, the
attraction between ions of groups 2 and 6 in ignored. An equation for the vibra-
tional frequency of the ions in also givvn. The form of the energy for pair
vacancy formation is indicated; and nusserical calculations are made for the KC1
crystal. The authors are gra"ful to A. 1. Stokhanov for discussions leading
to the form3lation of tho computations. OrIg. art. hams 25 equations and I
diagran.
ASSOCIATIONs Inatitut fizi1d I astronoodi AN ESSR Tartu (Institute of Physics
wW AstronoW AN ZSSR) 7
SUBM=Dt 289*v63 DATs AcQs. 27Apr64
SUB COM OP
Cord 2/3
NO W 30V 1 ?06
ZVOLs 01-
OTM I MO.,

A=UzoN ns AUMS41A
r
OCC Ole
Fig, 1 t The pair vacam7 and its closest
neighbors in the KC1 crystal,
Card 313
INCIAM (XL

I1ACCESSION NRs AP4020926 8/0051~016/002/02W/0259
AUTHORi Kristofollo N.N01 sayt, Goo,
A
'TITIZ: Concerning Interpretation of vibronic transitions In Impurities on the ba-
sis of the dynamic theory of nonideal lattIces
SOURCE: Optika I spektrookoplya, v.16, no.2, 1984, 256-259
TOPIC TAGSs vibronic transitions, phonon spectrum, ~attlco vibration, Impurity con-',
ter, lattice defoct, nonideal lattice, imperfect crystal, quasiline spectra, edge
emission, edge luminescence
1ABSTRAM The phonon spectrum of a crystal with a number of defects may differ subw
stantially from the spectrum of an ideal crystal by the presence of a number of %0~
cal" frequencies. Hence in considering the vibronic transitions in Impurity centers,
for example, one must take into consideration the vibrations of a nonidesl crystal.,
In the present paper there Is considered the distortion of the crystal lattice vi-
'brations in the vicinity of defects (impurity centers). It In shown that the dis-
'placements of the host atoms close to the defeat as a function of-frequency my hrm
number of sharp *axis&. The frequencies corresponding to these saxina either do-

ACMWION NRs AA020926
Itermine the effective frequencies of the impurity center or -Anced In form of
narrow quasilines (in the respective cases of centers with large --%nd small Stokes
(
losses). Some experimental and theoretical data for different types of luminescence
centers (mercur3~71ike, IF and rare earth centers) are discussed and analyzed from
~thc standpoint of the considerations adductd, It Is suggested that the frequencies
evinced in the vibrational structure of the edge emission spectra of some non-lktti-
,vated crystals (ZnS, CdS$ ZnO) my be associated with the above mentioned maxina.
"The authors are grateful to K.K.Reband for d*tailed discussion of some of the pro-
bloms involved and to Ch#B,IAwhch1k for valuable suggestionsoff OrIgsartshast 2 for-
Imulas and I tables
ASSOCIATIONs none
SUBMITrOt 14.Tun63 DATE ACO 02APrG4 MCLS 00
SUB CODSt PH NR REW BOVi 010 012

ACCESSION NR: AT4004329 8/2613/63/000/020/0122/0131
AUTHOR- Kristofell N N
P !..=
TITLE: Theory of elootron-oacillatory bonds forbidden in a static lattice
SOURCE: AN 1-;stSSR. Institut fizild I astronomil. Trudy*, no. 20, 1963. Issledovanlya
po tcoreticheskoy Mike, 122-131 ~
TOPIC TAGS: electron band, phosphor, forbidden transition, impurity center, crystal
lattice, lattice dynanales, electron oscillatory transition, static lattice, Jahn Teller effect
ABSTRACT: In this article, two topics are considered: first, the symmetry of vibrations
caused by the breakdown of the Condon approximation and leading to electron-oscillatory
transitions forbidden in the static lattice between the levels of small impurity centers;
second, the connection between the Jahn-Telle* r effect and the breakdown of the Condon ap-
proximation. The electron-oscillatory bands associated with the transitions forbidden in
the oWle lattice are generated In activating Impurities in fluorescent cryatals. The In-
tensity of these bands Increases with temperature, because the vibrations of the nuclei turn
the forbidden bands Into permitted ones. As a result of these vibrations, the electron wave
functions are deformed and the electron matrix element of transition becomes dependent on
the coordinates of the nuclei. In other words, the Condon approximation breakadown. The
card 1/3

ACCESSION NR: AT4004329
symmetry of vibrations Is -investigated to determine, what kind of symmetries can remove
the prohibiti-on from a certain transition. The analysis Is carried out by means of the theory
of groups. In the static crystal lattice and dipole approximation, transitions between states
of the same evenness are forbidden (if the group of the symmetry of the center contains the
operation of inversion). This prohibition is removed by odd vibrations. However, if the
transition is forbidden by other selection rulesbesidds evenness, then only even vibrations
can remove the proihibition. The motions of only those ions included in the regionof the im-
purity electron cloud are essential for the deviation from the Condon approximation. To
determine the symmetry of the vibrations and their'number, the impurity center is consid-,
ered as a quasi -molecule. The Jahn-Teller effect consists in lowering the equivalent
symmetry of the center and splintering the adiabatic potential. According to the Condon
approximation, the splintering does not take place in the absorption spectrum. If the
Condon approximation is disturbed by the same Incompletely symmetrical vibrations which
lead to the Jahn-Teller effect, the absorption band consists of the half-bands. In the opinion,
of the author, the Jahn-Teller effect, the breakdown of the Condon approximation, and the
deviation from the adiabatic state should be considered as mutually connected phenomena.
'The author thanks K. K. Rebane and Ch. B. Lushchik for considering these questions.
Orig. art. has: 12 formulas.
C.,d 2/3

ACCESSION NR: AT4004329
ASSOCIATION: Institut flzikl I astronomLi AN EstSSR (Institute of Physics and
Astronomy AN EstSSR)
SUBMlTTED-. 10 Mar62 -DATE ACQ; 14Jan64 ENCL, 00
SUB CODE: 'QP NO REF sov: 006
OTHER: 001
Card-A13

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prop-rti P R an(l p Rpc- 7. la1 -1 stort ton
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. ~~-

REBANEI K.K.; jq]Lqyqf~~Ij N.N. [Kriatoffel, 11.]; TRIPONOV P ye.b.;
KHIZII?rfAKOV, ,V.V.
Dynamics of a lattice with impurities and the quasi-line
electron-vibration spectra of crystals. lzv. AN Eat. SSR.
Ser. fiz.-mat. i takh. nauk 13 no.207-109 164.
(KIRA l7s9)
1. Corrosponding Member of the Academy of Sciences of the
Estonian S.S.R. (for Rebane).

L_A~2L-.~� EPA(s)-2A";T W/Evw (t)/E,,-T (b) I JP (c) JDIJG
ACCESSION NR: APPI9863 uR/0181165/OOT/008/2444/2449
AUT11OR: Zavto G. S.; &JfitQtW#At.Y..; Xhizhrrjukov, V. V.
T:11Ui Contribution to the theory of the width of infrared U-center absorption
bands
SOURCE: Fizika tverdoff. tela, v. To ix,. 8o 1965, 2444-2449
TOPIC TAGS: potassi chloride,, potascium bromide, activated crystal, line width#
IR z
pectrum, absorption 3Aneo crystal defecto impurity centerp crystal vibration#
phonon interuction
ABSTRACT: The purpose of the article vas to explain why recent experimental Mem-
surements of the line width in systems M-1f, D and KBr-11 D (D. N. Mirlin and 1.
1. Resbinap FTT v. 5. 33520 1963; v. 6. 945 and 3078, iA have led to results
that did not agree with previous theoretical explanations, namely that the width
of the infrared bands of U-center absorption increases more rapidly with tempera-
ture than follows from W acceptable decay scheme. The authors therefore conclude
that the dominating contribution to the line width, at least at high temperaturesp
is made by processes of higher orders,, namely 4-phonon processes for D centers and
5-phonon processes for H-centerss They prove this point of view by amlyzing a
formula for the line width, which they derive in the following approximatimat It
Card 1/2

L 6321-66
ACCESSION NR: AP5019%3
is assumed that the defect differs from the substituted ion in mass only. Inasmuch
as the impurity level is well localizedo it is assumed that the defect participates
only in the local vibrations,, and the crystalline vibrations at atoms neighboring
on the defect are not perturbed. This means that In the case of D-centers it Is
necessary to take into account procesoen In which two and three phonons are pro.-
duced, and in the case of H-centers--three and four phonons. The anharmanic inter-
actions of 3rd, 4th, and 5th orders are analyzed in the usual manner using the
two-time Green's functions* The theoretical curve revised in this manner to In
good agreement with the experimental ddta. "The authors thank D. N. Hirlin for
useful discussions." Orig. art. hast 1 figure, 9 formulas.. and 1 table.
ASSOCIATION: Institut fitiki I aatronomil AN ESSR# Turtu (Institute of nZaIcs
and Astronomy AN ESSR)
suBmITTED: i4Jan65 ENICU 00 SU CODE: SSj, OP
NR REF SOV: OOT 0TW: 013
Card 2/2

L 6,,k~2_66 EW'r(m)/FWP(t)/f-'WP(b) IJP(c) JD/J(x
ACCESSION NR: AP50107t, UR/0181/65/OOT/000/251,9/2522
vy -
AU111OH: 1P H, N
TITTZ.- Vibration 05FMCtrY MA Raman scattering spectra of alko,11-halide crystals
with impurities
SOURCE: Fizika tverdogo telap ve T# no*,Sv 1965., 2519-2522
21, qu,
'Elide") crystal impurity, cryctal symetry,,
TOPTC TAGS: P.. 4pse ru!mj alkali
phonon) Brillouin zone, spectii-i-Jane
ABSTRACT: The authot irmestiestes Raman acattering in alkali-halide cryatals of
the NaCl type with a substitutional impurlty at the lattice point. It it; assumed
that the types of point symmetry of the crystalline (pseudoloce.1) and local Vibra-
tions are the S=e as in a quasi-moleculc made up of the impurity and its neighbors',
with which it interacts. Using the table constructed by R. Loudon (Proc. Phys.
soc. v. 84, 379, 1964) and the compatibility tablea of Bouckaert et al. (Phya. Rev.
Y. 50, 56, 1936) the author determines the phonon symmetries at the different points
of the Brillouln zone and presents the nel.ection rules for the quasi-linear apec-
trum of Raman scattering of these crystalk,. It is Ghown that the phonons at the
points k 0 and X made no contribution tcodd-order lines, making it possible to
Card 1/2
e-w

L 6332-66
ACCESSION NR.- Ar5o19874
explain some experimentally observed rules for poeudolocal oscillations,, previously
observed by, the author (Tv. IFA AN ESSR No. 18o 149o 196,0. "The author is grate-
ful to A. I. fteldmnov for a discussion of the problem and to K. K. Rebane and 0.
S. Zavt for a ~Iscusdtd~ of the work." Orig. axt. has: 2 tables.
"
ASSOCIATION: Institut fizikl i astronomii AN ESSR) Tartu (Institute of Ptqslcs
and Astronopq AN EMR)
-F Yr, 5-,4~
SUBMITOM i 2TJan65 EWU 00 SUB CODE: OPp 63
RR REF SOV: 015 OTHERt 0013
nw
Card 2/2

KRISTOFELI, N. [Kristof rel,N. ]I GODKALNS, Ae
Theory of complex luminisoence canters. Part 1. Izv. AN Fat.
SSIR. Bar. fis.-mat. i takh. nauk 14 no. 4t5D7-525 165
(MIRA 19:2)
1. Inatitut fiziki i astronouli AN Estonskoy SSR. Submitted
November 23, 1964.

- - ------ ----- - -- - ---.--- -.---- -- --- ---I-- --
.- " t. -/ ,

i-T. r

ACC NRt
AUTHOR: Kristofell.-Hojit- &3
0
ORG: none
TITIX: Possibility of the Jahn-Taller effefft for the band states of crystals
SOURCE: AN Est-SSR. Institut fiziki i astronomii. Trudy, no. 27, 1964. Issledovaniya
po teorii tvardago, tela (gis-earch on the theory of solids), 85-98
phonon spectrum
TOPIC TAGS: Aenergy band structuim, crystal theory, crystal lattice vibration
crystal, crystal symmetry, band spectrum, electron interaction, phonon interaction
ABSTRACT: The author considers the possibUity for a reduction in the symmetry of thi
nuclear arrangement and a corresponfing splitting of the electron levels as a result
of interaction between the degenerate elect,lvn state of a perfect crystal and nonholo-
symetric lattice vibrations. The differenizoa between wide and narrow bands are con-
sidered. In the case of wide bands, elactmi-phonon interaction is considered as a pei
turbation for the band states. Only optica1 threshold vibrations may take part in tho
er
Jahn-Tell WNe . The effect is infinitely small for a single electron, but may be
finite for a sufficiently large number of electrons in a degenerate band. In the caso
of narrow bands, electron-phonon Interaction is first considered in a single call and
then interaction between different calls is analyzed. Vibrations of the appropriate
--synmtry--from-the-ei.tire-phon'oii spactrm-wa:v contribute- to~-the- affect 0- The -quasi~-
1/2

L 23527-66
ACC NR: AT6008834
molecular model which was developed earlier for impurity centers is applicable here
(polarons and excitons of amll radius, "intramoleculaVI states, etc.). so" experi-
ments for detection of the effect are discutised. The author Is grateful to K. K.
Rebane as well as to-particLpants In-seminwis at the Department of Quantum anics.
Leningrad State University and the Instituto of Physics_and Mathematics AN KSSA for
disvission of the wark. Orig. art. has: 8 fomulas.
SUB CODE; 20/ GUSH DATEt l3Nov63/ ORIG REF: 009/ OTH FEFt 007
2/Z - W)

L 235 A_AA
ACC NRc AT6009335 SOURCE CODE: UR/2613/64/000/027/0099/0107
'~q I ,
AUTHOR: Kristofell N N Tyur*san, E. E. LL r)
7Z
ORG: none
/3
TITLE! Calculation of vibration frequency and lattice distortions near a vacancy
pair in potassi chlori -ti
-11
SOURCE:. AN EstSSR. Institut fizlki i astrog2mii-c, Trudy, no. 27, 1964. Issledovaniya
po, teorii tverdogo tela ?Research an the theory of solids), 99-107
TOPIC TAGS: crystal lattice vibration, crystal lattice distortion, crystal lattice
vacancy, potassium chloride, vibration frequoncy, approximation method
ABSTRACT: The authors use the quas imolecularCappr-ox imat ion method, developed origi-
c
nally for impurity centers, to calculate let,: ce distortions and vibration frequency
for ions near a vacancy pair in a sodium M-oride type crystal. Only displacements
of the closest neighbors around the vacancy pair 4re considered (there are 10 nearest
ions) and the remaining ions are assumed to lie fastened in equilibrium positions cor-
responding to an ideal crystal. The calculations are based an a cation-anion vacancy
pair in KC1. It is found that the distortion of the lattice near the defect gives
a symmetry of C4v. The ftequency of the actual vibrations near the defect is 2.03-
-1013 sec-1. The coupling energy of the vacancy pair is found to be 8.73 6v. The
Ca,d 1/2

L Z'45ZO-00
ACC NRs AT6008335
authors are grateful to A. 1. Stekhanov who prompted the undertaking of this calcula-.
tion. Orig. art. has: 2 figuree, 11 fomulas.
SM CODE: 20/ SUBK DATE: 14Nov63/ ORIG W: 007/ OTH REF: 010
Card 2/2 -,!-.~/,

T 'I,),) A L IYT f) T TPk A
k1
v ACC NRI AP6014056 SOME CODE: UR/0013/65/000/004/0507/0527
AUTHOR: Kristofell, 11. Kristoffel, 9 ; Godkalns, A.
IORG: I-nstitute of Physics and Astronomy, Academy of Sciences Estonian SSR (Institut
'fiziki i astronomii Akademii nauk Estonskoy SSR)
;TITLE: On the theory of complex luminescence centers9l Part I
SOURCE: AN EstSSR. Izvestiya. Seriya fiziko-matematicheskikh I tekhnicheskikh nauk,
no. 4, 1965, 507-527
TOPIC TAGS; luminescence center, impurity centerl perturbation theory, crystal latt
vacancy
ABSTRACT: The paper discusses an impurity center in a static NaCl-type lattice, con-
sisting of a divalent activator ion at a lattice point and a vacancy of a like ion of
the lattice. General formulas are derived for the energy of a center with a mercury-
like activator in the ground and split excited electron states. The corresponding tran
sition energies for centers with C4. and C2. oymmetry are derived in terms of the wave
functions of the ions and considering the effect of the field of the point lattice.
The energy of a central ion in a lattice with defects, the energy of an impurity ion
with an associated vacancy (considering the ground and excited state of the Impurity),
1/2

L 04146-67 EWT(fn)/T/
/E
ACC NR, AP6026670 SOURCE CODE: UR/0181/66/008/008/2271/2279
11AUTHOR: Zavt, G. S.; Kristofe
I .. W~
stitute of Physics and Astronomy, AN ESSR, Tartu (Institut fIzik1 I astronomii
ORG: In A
ESSR)
TrrLE:, Distortion of band vibrations of NaCl -type crystals by monovalent impurities
SOURCE: FIzIka tverdogo tela, v, 8, no. 8, 1966, 2271-2279
TOPIC TAGS: sodium chloride, single crystal lattice, Impurity band crystal impurity, oryaw
lattice defect, Green function.7 CR~'S-nJ-
I
AIPSTRACT: An analysis Is given of the distortion of band vibrations of NaC 1-type crystals by
monovalent Impurities In the lattice points. It Is based on a prVious study by Zavt (FTT, 7,
21q9, 1965.) In which it was shown that, In addition to excitinrAocal vibrations, the Impurities
actJo modify lattice vibrations in the region of lattice defects J 'On this basis, the distortion of
vibiations by defects 1.9 studied by oalculating the spectral density of the atom displacements in
the ~rcgion of lattice defects (or the elgenvectors of the dynamic matrix). The method employed
to ditermine these elgenvectors Is based on the introduction of modified Green functions. A
distinctive feature of the method Is that the elgenvectors (or their combinations) consitute the
Card 1/2

I-Aed-N F~-__Xk 0 2 6 6 7 0
particular solution of the equations of motion. Graphs showing the modified Green functions
for KC I are presented, together with graphs that show the nature of the calculated band vibra-:
tions of various types of symmetry. The authors are indebted to E. E. Saareste for program-
ming the calculations of the Green's functions. Orig. art. has: 3 figures and 2i formulas.
SUB CODE: 20/ SUBM DATE: 160ot65/ ORIG REF: 013/ OTH REF: 010
Card 2/
W!"AME
M

ACC NR,'
,~P7004995- -----80tMCN CODEr UR/0046/66/030/009/1533/1536
AUTWR:.- Kristofol'ON.x
ORO: none
TITLE: Local levels of activator neighbors in alkali phosphors /iTeport, Fourteenth
All-Uulon Conference on luminescence (Crystal Phosphors) hold at7k1gaj 16-23 Sept.1
SOtMC9z AN SSSR. Izvestiya. Beriya fizicheakaya, Y. 30, no.9, 1966, 1533-1536
TOPIC TAGS: luminescent crystals potassium chlorlde,;thalllum, absorption band,
electron enorgy level, mathematic physics
ABSIMCT: The author has calculated the energies of the 3p states of the C1 ions
that are nearest neighbors to Tl+ impurity ions in a XCI lattice. The calculations
have been described In more detail elsewhere (N.N.Kristofol'., Tr. In-ta fiz. I astrone
AH EstSSR, No.32 (1966)). The calculations are of Interest because a knowledge of
induced local levels is necessary for an understanding of the release of excitation
from impurities and the trapping of holes, and for the Interpretation of spectral
bands associated with energy transport (trapped excitons). F6r the calculations, the
Hartree-Fock determinant was formed with one-electron wave functions centered on
separate ions and ealculated with the effect of the Aield of the point lattice taken
into account# and the off-diagonal energy matrix ele"uts were neglected. In this
approximation the valence band reduces to a levels and the appr*xImation is therefore

ACC NRj "7004995
.suitable only when the valence bond Is narrow. The 4unerical results are accordingly
regarded as merely Indicative. The calculations indicated that the valence band lies
10,6 eV below the vacuum leve4 this is in good agreement with the position of the top
of the valence band as calculated by L,Howland (Physt! Rev., 109, 1927 (1958)). The
calculated positions of the 3s levels are Oe72 eV above the valence band and 0.71 eV
below it. After some discussion it in concluded that on the present model the
of transfer" D absorption band of XCIM must be ascribed to an electronic transition
from an induced local level of a CI-Jon nolgbborIng,a Tl* Ion. It Is suggested that
induced local levels may affect the .x-ray spectrum aid that relevant Information might
I
also be obtained from paramagnetic resonance studios4 The author thanks X.N.Robanap
N.Ye.Lushchik and ChoDoLushchik for discussionas Orig..art. has: 4 formulate
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ACCESSION NR: AT4020807 B/2613/63/000/023/0216/0218
AUTHOR: Kristofell, N. N. ; Tyurkson, E. E.
TIT~M. Calculation of the wave functions of tons in the calcium fluoride crystal
SOURCE: AN EstSSR. Inatitut fiziki I aatronomli. Trudy*, no. 23, 1963.
Issledovaniya po lyuminestsentaii (Research in huninesconce), 216-218
*TOPIC TAGS: wave function, ton wave function, calcium fluoride, fluorite, fluorite ton
wave function, calcium fluoride crystal lattice
ABSTRACT: In connection with the use of activated fluorite crystals In quantum geneia-
tors, there has been an Increased Interest in recent times in the study of the various pro,
perties of Car' 2. Fluorite to one of the Ionic crystals. In calculating Its different charac-
terlstics in a zero approximation, It to possible to call upon the wave functions of the
tons Ca++ and F-, with proper consideration of the Madelung field of the surrounding ionic
lattice. As the result of a standard calculation, the details of which are not discussed in
the article, the authors obtained the data for normalized radial functions Mth allowance
for the field of the crystal) shown in Table 1 of the Enclosure. As in the case of alkali
-halide crystals, as compared with the free tons, the anion in-the crystal to "compressed"
and the cation is "extended". Some notion of the quality of the wave functions obtained
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ACCESSION NR: AT4020807
(for intemal shells the corresponding functions of the free tons are used) may be derived
from a calculation -of- the diamagnetic susceptibility of the CaF2 crystal. The diamagnetic
susceptibility of-the Ion was calculatod according to the.formula:
9a V W Adr.
where
me U(i)=E 2(21+1)JR,~te)t
andforCaF2 3=3(ca+
Ile results are given in Table 2 of the Enclosure X - 10-6 om-3 mole). Vt. hasi
2 tables and 3 formulas.
ASSOCIATION: Institut Mild I astronomil AN EstM (Institute of Physics and
Astronomys AN EstSSR)
SUBMIWED: 08Jun63 DATE ACQ: 07Apr64 ENCI4 02
SUB CODE-, P11 NO REF SOV: 003 OTMt 003
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U-
Va*4020807-
MmUsmt 01
TABLE I
"u F-: -77T
0 - 6.0 Jxo(r)= 2OW (I +T r 1,126r)t
Tf&) 'x
1,2