Ab Initio Study of the Structural, Magnetic, Electronic, and Thermodynamic Properties of Pd{sub 2}MnZ (Z = Ga, Ge, As) Heusler Alloys

Journal Article · Fri Jun 15 00:00:00 EDT 2018 · Physics of the Solid State

DOI:https://doi.org/10.1134/S1063783418060227· OSTI ID:22770962

Zagrebin, M. A.; Sokolovskiy, V. V.; Buchelnikov, V. D. ^[1]

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1. Chelyabinsk State University (Russian Federation)

The results of examination of the structural, magnetic, electronic, and thermodynamic properties of Pd{sub 2}MnZ (Z = Ga, Ge, As) Heusler alloys obtained in ab initio and Monte Carlo modeling are presented. It is demonstrated that a stable martensitic state is possible for Pd{sub 2}MnGa and Pd{sub 2}MnAs alloys. The equilibrium lattice parameter increases in the considered series of alloys with the number of valence electrons per atom (e/a). The Curie temperature of Pd{sub 2}MnZ (Z = Ga, Ge, As) alloys is determined using the calculated parameters of exchange interaction and total magnetic moments.

• OSTI ID: 22770962
• Journal Information: Physics of the Solid State, Vol. 60, Issue 6; Other Information: Copyright (c) 2018 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7834
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ARSENIC COMPOUNDS
CRYSTAL STRUCTURE
CURIE POINT
ELECTRICAL PROPERTIES
EXCHANGE INTERACTIONS
GALLIUM COMPOUNDS
GERMANIUM COMPOUNDS
HEUSLER ALLOYS
LATTICE PARAMETERS
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
MANGANESE ARSENIDES
MANGANESE COMPOUNDS
MARTENSITIC STEELS
MONTE CARLO METHOD
PALLADIUM COMPOUNDS
SIMULATION
TERNARY ALLOY SYSTEMS
THERMODYNAMIC PROPERTIES