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Influence of Cu Doping on the Electronic Structure and Magnetic Properties of the Mn 2 VAl Heusler Compound
Author(s) -
Gavrea Radu,
Bolinger Alfred,
Pop Viorel,
Isnard Olivier,
Coldea Marin,
Benea Diana
Publication year - 2017
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201700160
Subject(s) - ferrimagnetism , coherent potential approximation , condensed matter physics , electronic structure , doping , magnetization , curie temperature , materials science , crystallite , electronic band structure , ferromagnetism , physics , metallurgy , magnetic field , quantum mechanics
Detailed investigations on the electronic and magnetic properties of the Heusler compounds Mn 2− x Cu x VAl with L2 1 structure have been performed. Polycrystalline samples have been examined by X‐ray diffraction and magnetization measurements have been performed. The degrees of the B 2 and L2 1 atomic ordering obtained from the intensity ratios of the X‐ray patterns have been determined. The Curie temperatures decrease with Cu content, ranging between 771 K ( x = 0) and 580 K ( x = 0.5). Additionally, electronic band structure calculations using the Korringa–Kohn–Rostoker (KKR) Green's function method have been performed. The substitutional disorder was accounted by the means of the Coherent Potential Approximation (CPA). The site occupation considered in the calculations has been correlated with those obtained by the X‐ray experiments. Our study is giving an insight on the evolution of the half‐metallic fully compensated ferrimagnet (HMFi) character with disorder and Cu doping showing restrictions in obtaining of a HMFi by doping with 3d metals.