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Title: Electronic and Magnetic Properties of Ru{sub 2}FeSi{sub 1−x}Ge{sub x} Alloys in B2 Structure: a First-Principle Study

Abstract

In this letter, structural, electronic structure, and magnetic properties of Ru{sub 2}FeSi{sub 1−x}Ge{sub x} were analyzed for the first time in the stable B2 phase by using the first-principle calculation. The exchange and correlation potentials are described by using generalized gradient approximations (GGA) The B{sub 2} structure is found to be energetically more favorable than the L2{sub 1} structure. It was found that the lattice parameters increase linearly with increasing x. For all the range studied, the Ru{sub 2}FeSi{sub 1−x}Ge{sub x} alloys exhibit a metallic character. The origin of magnetic moment is due to the exchange splitting of Fe-d states, and the atomic magnetic moment of the present material originates mainly from Fe atom.

Authors:
 [1]
  1. Université Djillali Liabès de Sidi Bel-Abbés, Laboratoire de Modélisation et Simulation en Sciences des Matériaux (Algeria)
Publication Date:
OSTI Identifier:
22776963
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 4; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; Article Copyright (c) 2017 Springer Science+Business Media, LLC; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; D STATES; ELECTRONIC STRUCTURE; GERMANIUM ADDITIONS; IRON; LATTICE PARAMETERS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; RUTHENIUM ALLOYS

Citation Formats

Belhachi, S., E-mail: belhachi-soufiane@yahoo.fr. Electronic and Magnetic Properties of Ru{sub 2}FeSi{sub 1−x}Ge{sub x} Alloys in B2 Structure: a First-Principle Study. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4291-2.
Belhachi, S., E-mail: belhachi-soufiane@yahoo.fr. Electronic and Magnetic Properties of Ru{sub 2}FeSi{sub 1−x}Ge{sub x} Alloys in B2 Structure: a First-Principle Study. United States. doi:10.1007/S10948-017-4291-2.
Belhachi, S., E-mail: belhachi-soufiane@yahoo.fr. Sun . "Electronic and Magnetic Properties of Ru{sub 2}FeSi{sub 1−x}Ge{sub x} Alloys in B2 Structure: a First-Principle Study". United States. doi:10.1007/S10948-017-4291-2.
@article{osti_22776963,
title = {Electronic and Magnetic Properties of Ru{sub 2}FeSi{sub 1−x}Ge{sub x} Alloys in B2 Structure: a First-Principle Study},
author = {Belhachi, S., E-mail: belhachi-soufiane@yahoo.fr},
abstractNote = {In this letter, structural, electronic structure, and magnetic properties of Ru{sub 2}FeSi{sub 1−x}Ge{sub x} were analyzed for the first time in the stable B2 phase by using the first-principle calculation. The exchange and correlation potentials are described by using generalized gradient approximations (GGA) The B{sub 2} structure is found to be energetically more favorable than the L2{sub 1} structure. It was found that the lattice parameters increase linearly with increasing x. For all the range studied, the Ru{sub 2}FeSi{sub 1−x}Ge{sub x} alloys exhibit a metallic character. The origin of magnetic moment is due to the exchange splitting of Fe-d states, and the atomic magnetic moment of the present material originates mainly from Fe atom.},
doi = {10.1007/S10948-017-4291-2},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 4,
volume = 31,
place = {United States},
year = {2018},
month = {4}
}