Electron and phonon properties of noncentrosymmetric RhGe from ab initio\n calculations

2017/08/29 by M. V. Magnitskaya, Magnitskaya, Maria, N. M. Chtchelkatchev +11
Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Rare-earth and actinide compounds #Superconductivity in MgB2 and Alloys

paper · pdf · doi:10.48550/arxiv.1708.08788

openalex publication_date 2017/08/29 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Band structure, Fermi surface, and phonon dispersions of noncentrosymmetric\nB20-type RhGe are calculated ab initio for the first time and their evolution\nwith increasing pressure is investigated. We consider in detail\nsymmetry-conditioned features of the band structure, as well as\npressure-induced changes in the Fermi surface topology, which are expected to\naffect the thermopower of RhGe. We also report on special calculations of\nelectric field gradients on the Rh and Ge nuclei and compare these results with\na very recent 111 Cd-TDPAC study of B20-RhGe.\n

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