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Regular version of the site

Article

Electron-phonon interaction, phonon and electronic structures of layered electride Ca2N

JETP Letters. 2019. Vol. 109. No. 9. P. 627-628.
Mavrin B. N., Perminova M. E., Yu.E. Lozovik.

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.