First-principles study on lattice dynamics and Electron-Phonon interaction in an oxide spinel LiTi2O4

被引：8
作者：
Oda, T
Shirai, M
Suzuki, N
Motizuki, K
机构：
[1] OSAKA UNIV, FAC ENGN SCI, DEPT PHYS, TOYONAKA, OSAKA 560, JAPAN
[2] OKAYAMA UNIV SCI, FAC SCI, DEPT APPL PHYS, OKAYAMA 700, JAPAN
来源：
PHYSICA B-CONDENSED MATTER | 1996年 / 219-20卷
关键词：
D O I：
10.1016/0921-4526(95)00775-X
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Frozen-phonon method with use of the full-potential linearized augmented-plane-wave band calculations has been applied to the all-symmetric A(1g) phonon mode of the superconducting spinel LiTi2O4 for which there are no available experimental data of phonon frequencies. The phonon frequency of the A(1g) mode and the maximum value of its relative phonon line width due to the electron-phonon interaction have been evaluated to be 80 meV and 0.064, respectively. These results show good correspondence to those obtained semi-empirically by our previous work.
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页码：451 / 453
页数：3
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