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- Title
Electron—Phonon Interaction, Phonon and Electronic Structures of Layered Electride Ca<sub>2</sub>N.
- Authors
Mavrin, B. N.; Perminova, M. E.; Lozovik, Yu. E.
- Abstract
The phonon and electronic properties, the Eliashberg function and the temperature dependence of resistance of electride Ca2N are investigated by the DFT-LDA (density functional theory in local density approximation) plane-wave method. The phonon dispersion, the partial phonon density of states and the atomic eigenvectors of zero-center phonons are studied. The electronic band dispersion and partial density of states conclude that Ca2N is a metal and the Ca 3p, 4s and N 2p orbitals are hybridized. For the analysis of an electron-phonon interaction and its contribution of the Eliashberg function to resistance was calculated and a temperature dependence of resistance due to electron-phonon interaction was found.
- Subjects
POLARONS; PHONONS; ELECTRON-phonon interactions; ELECTRONIC structure; DENSITY functional theory; DENSITY of states
- Publication
JETP Letters, 2019, Vol 109, Issue 9, p606
- ISSN
0021-3640
- Publication type
Article
- DOI
10.1134/S0021364019090029