Work

Structure and electronic properties of RuSi, OsSi, RhSi, ReSi and IrSi

Year: 2025

Type: article

Abstract: RuSi, OsSi, RhSi, ReSi and IrSi in different phases have been investigated by means of ab initio techniques within the hybrid functional. RuSi and OsSi have the cubic (space group P2 1 3, #198) structure and display semiconducting properties, while the conducting high-temperature cubic phase (space group Pm3m, #221) is sizably higher in energy. The ground state for RhSi and IrSi is the orthorhombic (space group Pnma, #62) structure, while for ReSi it is monoclinic (space group P2 1 /c, #14) with the cubic phase (space group P2 1 3, #198) to be higher in total energy. The Dirac nodes and cones as well as crossing bands with linear dispersion are found for RhSi, ReSi and IrSi in the orthorhombic phase. These monosilicides in the monoclinic phase can be viewed as gapless semiconductors except for IrSi with the band gap of 0.23 eV.

Source: Japanese Journal of Applied Physics

DOI: 10.35848/1347-4065/ae1842

Authors: Dmitri B. Migas, Andrew B. Filonov, Nikolay G. Galkin, Natalia V. Skorodumova

Institutions: Belarusian State University of Informatics and Radioelectronics, National Research Nuclear University MEPhI, Institute of Automation and Control Processes, Far Eastern Branch of the Russian Academy of Sciences, Luleå University of Technology

Language: English

Topic: Topological Materials and Phenomena

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: Belarusian Republican Foundation for Fundamental Research, Vetenskapsrådet

Award: NAISS