Elastic, mechanical, optical and magnetic properties of Ru2MnX (X = Nb, Ta, V) Heusler alloys


UĞUR Ş., Güler M., UĞUR G., Güler E.

Journal of Magnetism and Magnetic Materials, vol.523, 2021 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Review
  • Volume: 523
  • Publication Date: 2021
  • Doi Number: 10.1016/j.jmmm.2020.167614
  • Journal Name: Journal of Magnetism and Magnetic Materials
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, PASCAL, Aerospace Database, Chemical Abstracts Core, Communication Abstracts, INSPEC, Metadex, Civil Engineering Abstracts
  • Keywords: Full Heusler, Ru2MnX, Elastic, Magnetic, Optical, DFT, GENERALIZED GRADIENT APPROXIMATION, PHASE-TRANSITION, PRESSURE
  • Ankara Haci Bayram Veli University Affiliated: Yes

Abstract

© 2020 Elsevier B.V.We have theoretically investigated the elastic, mechanical, optical and magnetic properties of Ru2MnX (X = Nb, Ta, V) Heusler alloys within density functional theory (DFT). The generalized gradient approximation (GGA) was employed to research with Perdew-Burke-Ernzerhof (PBE) exchange-correlation energy. Obtained elastic constants and elastic moduli values manifest that all surveyed alloys are mechanically stable and ductile. The magnitudes of the theoretical Vickers hardness values ​​of these alloys follow the range of V > Ta > Nb. Also, all studied alloys display metallic behavior confirmed by the agreement of mechanical, electronic and optical data. On the other side, all alloys exhibit ferromagnetic magnetism with the total magnetic moment (μB) rank of Nb > Ta > V. Our computed μB results also agree well with the previous theoretical results of Ru2MnX (X = Nb, Ta, V) Heusler alloys.