Electronic Structure of B20 (FeSi-Type) Transition-Metal Monosilicides.

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ID: 36331
2019
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Abstract
Monosilicides of transition metals crystallizing in a B20 (FeSi-type) structure (space group P2 1 3, #198) possess a wide range of specific properties. Among them are semiconductors, metals, and paramagnetic, diamagnetic, and ferromagnetic compounds. Some of them were studied as promising thermoelectric materials. Recently, B20 monosilicides have attracted attention as a new class of topological semimetals with topological charge greater than unity. In the present work, we analyze the electronic structures of B20-type monosilicides of the fourth, fifth, and sixth periods of the Periodic Table in order to reveal their common features and peculiarities. To make this analysis more consistent, we performed a density-functional study of the electronic structures of the monosilicides in a unified manner. We reviewed the results of previous calculations and the available experimental data, comparing them with our results. The band structures of ReSi and TcSi not found in the literature were calculated and analyzed as well. The topological properties of these materials and of some isostructural germanides and stannides were investigated. Analysis reveals the current understanding of electronic structures and properties of this compound group.
Reference Key
pshenayseverin2019electronicmaterials Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Pshenay-Severin, Dmitry A;Burkov, Alexander T;
Journal Materials (Basel, Switzerland)
Year 2019
DOI
E2710
URL
Keywords Keywords not found

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