EXAFS studies of semiconductors and ferroelectrics
XAFS spectroscopy, which includes the investigations of both Extended
X-ray Absorption Fine Structure (EXAFS) and X-ray absorption
Near-Edge Structure (XANES), is a powerful technique for structural
investigations. It is widely used in physics, materials science,
chemistry (especially in catalysis and coordination chemistry), biology,
geochemistry and environmental science. It can be applied to the studies
of not only crystalline solids, but also to studies of various disordered,
nanocrystalline, amorphous and liquid systems.
In our laboratory we use EXAFS to study the local environment of isovalent
and nonisovalent impurities in narrow-gap IV-VI semiconductors with a
particular emphasis to off-center impurities
which can induce the ferroelectric phase transition in these crystals.
We study the mechanisms in which different doping impurities influence the
ferroelectric properties such as the phase transition (Curie) temperature.
An interesting result of this work was the discovery of a new class of
off-center ions - off-center ions of large size. Lead (Pb)
and tin (Sn) impurity atoms in germanium telluride (GeTe) can serve as
examples.
Our main interest now is paid to determination of the parameters of
three-dimensional (3D) multiwell potential for some off-center atoms
from EXAFS data. This potential is characterized by strong anharmonicity
and anisotropy, so we cannot use standard approach based on the cumulant
expansion method. Our approach uses exact three-dimensional integration
of the atomic distribution function that is calculated within the quantum
statistical approach from the wave functions obtained from numerical
solution of the Schroedinger equation for 3D anharmonic anisotropic potential.
Members of the group:
Selected publications:
- A.I. Lebedev, I.A. Sluchinskaya, V.N. Demin and I.H. Munro.
EXAFS studies of the interaction of Ge
off-center atoms and impurities in GeTe. Poster presentation at the
European Meeting on Ferroelectricity (EMF8) (Nijmegen, July 1995).
- A.I. Lebedev, I.A. Sluchinskaya, V.N. Demin and I.H. Munro. EXAFS
studies of the influence of impurities on the phase transition in GeTe.
Izv. Akad. Nauk, Ser. Fiz. 60,
N 10, 46 (1996) (in Russian).
- V.V. Vavilova, Yu.K. Kovneristyi, A.I. Lebedev, V.V. Mikhailin, N.A. Palii
and A.L. Rogalev. EXAFS study of Re87Ta13 and
Re48W52 amorphous alloys. Dokl. Akad. Nauk 348,
197 (1996) (in Russian).
- A.I. Lebedev, I.A. Sluchinskaya, V.N. Demin and I.H. Munro.
Off-centering of Pb and Sn impurities in GeTe
induced by strong local stress. The 9th Int. Conf. on X-ray Absorption
Fine Structure (Grenoble, August 1996), Program and Abstracts, Abstract PS3-82.
- A.I. Lebedev, I.A. Sluchinskaya, V.N. Demin and I.H. Munro.
Off-centering of Pb and Sn impurities in GeTe induced by strong local
stress. Pis'ma v Zh. Eksp. Teor. Fiz.
63, 600 (1996) (in Russian) [Translation: JETP Letters
63, 635 (1996)].
- A.I. Lebedev, I.A. Sluchinskaya, V.N. Demin and I.H. Munro.
Off-centering of Pb
and Sn impurities in GeTe. Phys. Rev. B 55, 14770 (1997);
[local copy].
- A.I. Lebedev, I.A. Sluchinskaya, V.N. Demin and I.H. Munro.
Influence of Se, Pb and Mn impurities on the
ferroelectric phase transition in GeTe studied by EXAFS.
Phase Transitions 60, 67 (1997).
- A.I. Lebedev, I.A. Sluchinskaya, V.N. Demin, I.H. Munro and G. van Dorssen.
EXAFS studies of the local structure of
In in PbTe, SnTe and GeTe.
Daresbury Laboratory Scientific Reports 1996-97, pp. 248-249.
- A.I. Lebedev, I.A. Sluchinskaya, V.N. Demin and I.H. Munro.
EXAFS studies of the local environment of lead and selenium atoms in
PbTeSe solid solution. Fizika Tverdogo
Tela 41, 1394 (1999) (in Russian). [Translation:
Physics of the Solid State
41, 1275 (1999).]
- A.I. Lebedev, A.V. Michurin, I.A. Sluchinskaya, V.N. Demin, I. Munro.
Structure and electrical properties of InTe1-xSex,
In1-xGaxTe, and In1-xTlxTe solid
solutions. Crystallography
Reports, 45, 555 (2000).
- A.I. Lebedev, A.V. Michurin, I.A. Sluchinskaya, V.N. Demin, I.H. Munro.
EXAFS and electrical studies of new narrow-gap semiconductors:
InTe1-xSex and In1-xGaxTe. --
J. Phys. Chem.
Solids 61, 2007 (2000);
e-print arXiv:1801.00830 (2018).
- A. Lebedev, I. Sluchinskaya, I. Munro. EXAFS study of PbS-SnS solid
solution. --
J. Synchr. Rad. 8,
800 (2001); [local copy].
- A.I. Lebedev, I.A. Sluchinskaya, I.H. Munro. An EXAFS study of the local
structure in PbxSn1-xS solid solution. --
Physics of the Solid State 44,
1643 (2002); [local copy].
- S.G. Dorofeev, A.I. Lebedev, S.G. Nikitenko, I.A. Sluchinskaya,
O.I. Tananaeva. XANES determination of the charge state of thullium in PbTe.
The 3d National Conf. on using of x-ray and synchrotron radiation, neutrons
and electrons in materials science (Moscow, 2001).
Abstract book, p. 98 (in Russian).
- A.I. Lebedev, I.A. Sluchinskaya. Direct
determination of the shape of potential well for off-center Ge atom in
GeTe-SnTe solid solution by EXAFS technique.
7th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity
(St. Petersburg, June 2002). Abstract book, p. 29.
- A.I. Lebedev, I.A. Sluchinskaya. EXAFS study of the influence of impurities
on the phase transition in GeTe. --
Ferroelectrics 298, 189 (2004).
- A.I. Lebedev, I.A. Sluchinskaya.
A new method for determining parameters
of the potential well of off-center atoms from EXAFS data.
Crystallography Reports 49, Suppl. 1, S94 (2004).
- A.I. Lebedev, I.A. Sluchinskaya, S.G. Nikitenko, S.G. Dorofeev.
Determination of Tm charge state in PbTe(Tm)
by XANES method. Physica Scripta T115, p. 365 (2005).
- A.A. Veligzhanin, A.I. Lebedev, V.V. Mischenko, I.A. Sluchinskaya,
A.A. Chernyshov.
EXAFS study of the local environment of Pb
impurity in CaTiO3, SrTiO3 and BaTiO3. 5th Int. Seminar on
Ferroelastic Physics (ISFP-5, Voronezh, Russia, 2006). Abstract book,
p. 52.
- A.I. Lebedev, I.A. Sluchinskaya. Parameters of the potential well of an
off-center Ge atom in GeTe-SnTe solid solution. --
Physics of the Solid
State 49, 1132 (2007);
[local copy]
- A.I. Lebedev, I.A. Sluchinskaya, A. Erko, A.A. Veligzhanin, A.A. Chernyshov.
XAFS studies of the local environment of Pb impurity atoms in barium, strontium,
and calcium titanates. --
Physics of the Solid
State 51, 991 (2009);
[local copy].
- A.I. Lebedev, I.A. Sluchinskaya, A. Erko, V.F. Kozlovskii. Direct evidence
for off-centering of Mn impurity in SrTiO3. --
JETP Letters 89, 457
(2009); [local copy].
- I.A. Sluchinskaya, A.I. Lebedev, A. Erko. Local environment and oxidation
state of Mn impurity in SrTiO3 determined from XAFS data. --
Bulletin of the Russian Academy
of Sciences: Physics 74, 1235 (2010);
e-print arXiv:1507.07342 (2015);
[local copy].
- I.A. Sluchinskaya, A.I. Lebedev, A. Erko. XAFS studies of the local structure
and charge state of the Pr impurity in SrTiO3. --
Physics of the Solid
State 54, 975 (2012);
[local copy].
- I.A. Sluchinskaya, A.I. Lebedev, A. Erko. Crystal structure, local
structure, and defect structure of Pr-doped SrTiO3. --
J. Appl. Phys. 112, 024103 (2012);
e-print arXiv:1203.3066 (2012);
[local copy].
- A.I. Lebedev, I.A. Sluchinskaya. Combined first-principles and EXAFS study of
structural instability in BaZrO3. --
J. Adv. Dielectrics 5, 1550019 (2015);
e-print arXiv:1304.6359 (2013).
- I.A. Sluchinskaya, A.I. Lebedev, A. Erko. Structural position and oxidation
state of nickel in SrTiO3. --
J. Adv. Dielectrics 3, 1350031 (2013);
e-print arXiv:1307.5082 (2013);
[local copy].
- I.A. Sluchinskaya, A.I. Lebedev, A. Erko. Structural position and charge state
of nickel in SrTiO3. --
Physics of the Solid State 56,
449 (2014).
- M.A. Terekhin, V.N. Makhov, A.I. Lebedev, I.A. Sluchinskaya. Effect of local
environment on crossluminescence kinetics in SrF2:Ba and CaF2:Ba solid solutions. --
Journal of Luminescence 166,
137 (2015);
e-print arXiv:1506.02325 (2015).
- I.A. Sluchinskaya, A.I. Lebedev. An experimental and theoretical study of Ni impurity
centers in Ba0.8Sr0.2TiO3. --
Physics of the Solid State 59,
1512 (2017);
e-print arXiv:1708.03016 (2017).
- I.A. Sluchinskaya, A.I. Lebedev. Cobalt in strontium titanate as a new off-center magnetic impurity. --
Physics of the Solid State 61, 390 (2019);
e-print arXiv:2108.00481 (2021).
- I.A. Sluchinskaya, A.I. Lebedev. Electronic and magnetic properties of structural defects in SrTiO3(Co). --
J. Alloys and Compounds 820, 153243 (2020);
e-print arXiv:1912.10711 (2019).
- I.A. Sluchinskaya, A.I. Lebedev. On the possibility of incorporation of the iron impurity into A sites in SrTiO3. --
Physics of the Solid State 64, 345 (2022);
e-print arXiv:2204.12775 (2022).
- A.I. Lebedev, I.A. Sluchinskaya.
Off-centering of the Fe atom at the A site in SrTiO3: calculations and experiment, - Ferroelectrics
604, 116 (2023).
Other places of interest in the Internet:
Russian version of this page
Physics of Semiconductors division