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.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Electrical and Electronic Engineering