Journal Article

PreJuSER-29679

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Zinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems

Galanakis, I.FZJ* ; Mavropoulos, T. B.FZJ*

2003
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/1569  doi:10.1103/PhysRevB.67.104417

Abstract: We report systematic first-principles calculations for ordered zinc-blende compounds of the transition metal elements V, Cr, and Mn with the sp elements N, P, As, Sb, S, Se, and Te, motivated by a recent fabrication of zinc-blende CrAs, CrSb, and MnAs. They show a ferromagnetic half-metallic behavior for a wide range of lattice constants. We discuss the origin and trends of half-metallicity, present the calculated equilibrium lattice constants, and examine the half-metallic behavior of their transition element terminated (001) surfaces.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

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Contributing Institute(s):

1. Theorie III (IFF-TH-III)

Research Program(s):

1. Kondensierte Materie (M02)

Appears in the scientific report 2003
Notes: This version is available at the following Publisher URL: http://prb.aps.org

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