Simulation of the lattice dynamics of superionic conductors Cu2Se and Cu2Te

N. Bikkulova, Ю.М. Степанов, А.Д. Давлетшина, Л.В. Биккулова show affiliations and emails
Accepted  24 April 2013
This paper is written in Russian
Citation: N. Bikkulova, Ю.М. Степанов, А.Д. Давлетшина, Л.В. Биккулова. Simulation of the lattice dynamics of superionic conductors Cu2Se and Cu2Te. Lett. Mater., 2013, 3(2) 87-90
BibTex   https://doi.org/10.22226/2410-3535-2013-2-87-90

Abstract

The results of the study of the lattice dynamics of superionic conductors – copper and silver chalcogenides by using inelastic neutron scattering are presented. The band structure in the superionic state is calculated by ab initio methods. The experimental spectra are compared with the theoretical calculations for these compounds.

References (13)

1. Hasegawa A. On the electronic structure of Agchalcogenides. Solid State Ionics, 1985., V. 15, P. 81-88.
2. Kikuchi H., Iyetomi H., Hasegawa A. The p-d hybridizationin the electronic structure of α-Ag2Te. J. Phys.: Condens.Matter, 1997, V. 9, P. 6031-6048.
3. Kikuchi H., Iyetomi H., Hasegawa A. Insight into the originof superionic conductivity from electronic structuretheory. J. Phys.: Condens. Matter, 1998, V. 10, P. 11439-11448.
4. Kashida S., Watanabe N., Hasegawa T., Iida H. Electronicstructure of Ag2S, band calculation and photoelectronspectroscopy. Solid State Ionics, 2003, V. 158, P. 167-175.
5. Биккулова Н.Н., Якшибаев Р.А., Сагдаткиреева М.Б., Асылгужина Г.Н. Суперионная проводимость втвердых растворах халькогенидов меди и серебра.Известие РАН, серия физическая, 2003, T.67, № 7, С.915-917.
6. Биккулова Н.Н. Ионный перенос в халькогенидахмеди и серебра. Фазовые переходы, упорядоченныесостояния и новые материалы, 2006. С. 1-3.
7. Hohenberg P. and Kohn W. Inhomogeneous Electron Gas.Phys. Rev., 1964, V. 136, B864-B871.
8. Kohn W., Sham L. J. Self-Consistent Equations IncludingExchange and Correlation Effects. Phys. Rev., 1965, V.140, A1133-A1138.
9. Danilkin S.A., Skomorochov A.N., Hoser A., Fuess H., Rajevas V., Bickulova N.N. Crystal structure and latticedynamics of superionic copper selenide Cu2-δSe. J.Alloys and Compounds, 2003, V.361, P. 57-61.
10. Quantum-ESPRESSO: http://www.quantum-espresso.org.
11. Sakuma T., Shibata K. Low-Energy Excitation in b-Cu2Se.J. Phys.Society of Japan, 1989, V. 58, № 9, P. 3061-3064.
12. Sakuma T., Aoyama T., Takahashi H., Shimojo Y., Morii Y.Diffuse neutron scattering from the superionic phase ofCu2Se. J.Physica B., 1995, V. 213-214, P. 399-401.
13. Danilkin S.A., Mohana Y. and Gordon J. Kearley. PhononDispersion in Superionic Copper Selenide - Observationof Soft Phonon Modes in Superionic Phase Transition. J.Phys. Soc. Jpn., 2010, V.79, P. 25-28.

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