Abstract
Monosilicides of transition metals crystallizing in a B20 (FeSi-type) structure (space group P23, #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.
Highlights
Monosilicides of transition metals that crystallize in a cubic noncentrosymmetric B20 structure have many interesting magnetic, topological, and transport properties.In recent years, interest in the topological properties of solids has increased
The monosilicides that we study here were selected based on literature data and the Materials
The comparison of electronic band structures of transition-metal monosilicides of B20 (FeSi-type) crystal structure was performed on the basis of unified first-principle calculations supplemented by review of available theoretical and experimental data
Summary
Monosilicides of transition metals that crystallize in a cubic noncentrosymmetric B20 structure (space group P21 3, #198) have many interesting magnetic, topological, and transport properties. Interest in the topological properties of solids has increased. Many monosilicides exhibit unusual properties both in real and in reciprocal space. MnGe, unusual magnetic properties related to the existence of the skyrmion phase were observed [1,2]. It was discovered that the semimetallic CoSi and RhSi have nontrivial electronic structure topology [3,4,5,6]. While the low-energy electronic structure in Weyl semimetals contains an even number of doubly-degenerate band-touching points, carrying topological charge ±1, in CoSi and
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