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000029679 0247_ $$2DOI$$a10.1103/PhysRevB.67.104417
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000029679 084__ $$2WoS$$aPhysics, Condensed Matter
000029679 1001_ $$0P:(DE-Juel1)VDB4663$$aGalanakis, I.$$b0$$uFZJ
000029679 245__ $$aZinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems
000029679 260__ $$aCollege Park, Md.$$bAPS$$c2003
000029679 300__ $$a104417
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000029679 440_0 $$04919$$aPhysical Review B$$v67$$x1098-0121
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000029679 520__ $$aWe 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.
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000029679 7001_ $$0P:(DE-Juel1)130823$$aMavropoulos, T. B.$$b1$$uFZJ
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000029679 8567_ $$uhttp://hdl.handle.net/2128/1569$$uhttp://dx.doi.org/10.1103/PhysRevB.67.104417
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