Electron and phonon properties of noncentrosymmetric RhGe from ab initio calculations

Maria Magnitskaya, Nikolay Chtchelkatchev, Anatoly Tsvyashchenko, Denis Salamatin, Sergey Lepeshkin, Liudmila Fomicheva, Mieczysław Budzyński

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Band structure, Fermi surface, and phonon dispersions of noncentrosymmetric B20-type RhGe are calculated ab initio for the first time and their evolution with increasing pressure is investigated. We consider in detail symmetry-conditioned features of the band structure, as well as pressure-induced changes in the Fermi surface topology, which are expected to affect the thermopower of RhGe. We also report on special calculations of electric field gradients on the Rh and Ge nuclei and compare these results with a very recent 111Cd-TDPAC study of B20-RhGe.

Original languageEnglish
Pages (from-to)127-130
Number of pages4
JournalJournal of Magnetism and Magnetic Materials
Volume470
DOIs
Publication statusPublished - 15 Jan 2019

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