TY - JOUR
T1 - First-principles study on lattice dynamics and electron-phonon interaction in an oxide spinel LiTi2O4
AU - Oda, Tatsuki
AU - Shirai, Masafumi
AU - Suzuki, Naoshi
AU - Motizuki, Kazuko
N1 - Funding Information:
We would like to thank Prof. A Yanase and Prof. H Harima of University of Osaka Prefecture for providing us with their FLAPW program. This work is supported by Grant-in-Aid from the Ministry of Education, Science and Culture, Japan.
PY - 1996/4/1
Y1 - 1996/4/1
N2 - Frozen-phonon method with use of the full-potential linearized augmented-plane-wave band calculations has been applied to the all-symmetric Alg phonon mode of the superconducting spinel LiTi2O4 for which there are no available experimental data of phonon frequencies. The phonon frequency of the Alg 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.
AB - Frozen-phonon method with use of the full-potential linearized augmented-plane-wave band calculations has been applied to the all-symmetric Alg phonon mode of the superconducting spinel LiTi2O4 for which there are no available experimental data of phonon frequencies. The phonon frequency of the Alg 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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U2 - 10.1016/0921-4526(95)00775-X
DO - 10.1016/0921-4526(95)00775-X
M3 - Article
AN - SCOPUS:4243783743
VL - 219-220
SP - 451
EP - 453
JO - Physica B: Condensed Matter
JF - Physica B: Condensed Matter
SN - 0921-4526
IS - 1-4
ER -