%0 Journal Article
%A Galanakis, I.
%A Mavropoulos, T. B.
%T Zinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems
%J Physical review / B
%V 67
%N 10
%@ 0163-1829
%C College Park, Md.
%I APS
%M PreJuSER-29679
%P 104417
%D 2003
%Z Record converted from VDB: 12.11.2012
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000182033700056
%R 10.1103/PhysRevB.67.104417
%U https://juser.fz-juelich.de/record/29679