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000006295 084__ $$2WoS$$aMaterials Science, Multidisciplinary
000006295 084__ $$2WoS$$aPhysics, Condensed Matter
000006295 1001_ $$0P:(DE-HGF)0$$aOzdogan, K.$$b0
000006295 245__ $$aHalf-metallic ferrimagnetism in the [Sc1-xVx]C and [Sc1-xVx]Si alloys   adopting the zincblende and wurtzite structures from first-principles
000006295 260__ $$aAmsterdam$$bNorth-Holland Publ. Co.$$c2010
000006295 300__ $$a46 - 50
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000006295 440_0 $$03490$$aJournal of Magnetism and Magnetic Materials$$v322$$x0304-8853$$y1
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000006295 520__ $$aEmploying first-principles calculations we study the structural, electronic and magnetic properties of the [Sc1-xVx]C and [Sc1-xVx]Si alloys assuming that they crystallize in the zincblende and wurtzite structures. Both structures are degenerated with respect to the total energy. For all concentrations the alloys in these lattice structures are half-metallic with the gap located in the spin-down band. The total spin moment follows the Slater-Pauling behavior varying linearly between the -1 mu(B) of the perfect ScC and ScSi alloys and the +1 mu(B) of the perfect VC and VSi alloys. For the intermediate concentrations V and Sc atoms have antiparallel spin magnetic moments and the compounds are half-metallic ferrimagnets. At the critical concentration, both [Sc0.5V0.5]C and [Sc0.5V0.5]Si alloys present zero total spin-magnetic moment but the C-based alloy shows a semiconducting behavior contrary to the Si-based alloys which is a half-metallic anti ferromagnet. (C) 2009 Elsevier B.V. All rights reserved.
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000006295 65320 $$2Author$$aElectronic structure
000006295 65320 $$2Author$$aHalf-metal
000006295 65320 $$2Author$$aFerrimagnet
000006295 7001_ $$0P:(DE-Juel1)VDB63896$$aSasioglu, E.$$b1$$uFZJ
000006295 7001_ $$0P:(DE-HGF)0$$aGalanakis, I.$$b2
000006295 773__ $$0PERI:(DE-600)1479000-2$$a10.1016/j.jmmm.2009.08.021$$gVol. 322, p. 46 - 50$$p46 - 50$$q322<46 - 50$$tJournal of magnetism and magnetic materials$$v322$$x0304-8853$$y2010
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