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Title: Variation of magnetism and half-metallicity in Ru{sub 2}VSi with lattice expansion

Full-potential linearized augmented plane wave method has been employed to investigate the electronic and magnetic properties of Ru{sub 2}VSi Heusler alloy at optimized lattice parameter and in expanded lattice. Present computations predict that Ru{sub 2}VSi has a ferromagnetic ground state with an optimized lattice constant 5.952 Å. The compound in ambient conditions was found to have metallic character. However, increased value of lattice parameter induces 100% spin-polarization in the material at Fermi energy. Further, the band gap tends to increase and the material behaves as pure half-metallic at an increased value of lattice constant.
Authors:
;  [1]
  1. Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior – 474011 (India)
Publication Date:
OSTI Identifier:
22490556
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CALCULATION METHODS; CRYSTAL LATTICES; ENERGY GAP; FERMI LEVEL; FERROMAGNETIC MATERIALS; FERROMAGNETISM; GROUND STATES; HEUSLER ALLOYS; LATTICE PARAMETERS; MAGNETIC PROPERTIES; METALLICITY; POTENTIALS; RUTHENIUM COMPOUNDS; SPIN ORIENTATION; VANADIUM SILICIDES; WAVE PROPAGATION