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000154962 1001_ $$0P:(DE-HGF)0$$aGalanakis, I.$$b0$$eCorresponding Author
000154962 245__ $$aVoids-driven breakdown of the local-symmetry and Slater-Pauling rule in half-metallic Heusler compounds
000154962 260__ $$aCollege Park, Md.$$bAPS$$c2014
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000154962 520__ $$aSlater-Pauling (SP) rules connect the magnetic and electronic properties of the half-metallic (HM) Heuslercompounds. Employing first-principles electronic structure calculations we explore the validity of the SP rulesin the case of transition from HM semi-Heusler compounds to various cases of HM full-Heusler compounds.We show that the coherent-potential approximation yields half-metallicity and thus a generalized version of theSP rules can be derived. On the contrary, supercell calculations, which are expected to describe the experimentalsituation more accurately, show that the energy gap considerably shrinks for the intermediate compounds and inseveral cases the half-metallicity is completely destroyed. The origin of this behavior is attributed to the voids,which influence the symmetry of the lattice.
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000154962 7001_ $$0P:(DE-HGF)0$$aÖzdoğan, K.$$b3
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000154962 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/RevModPhys.76.323
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000154962 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0022-3727/47/19/193001
000154962 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/RevModPhys.82.1633
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000154962 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/19/31/315203
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000154962 999C5 $$1P. J. Webster$$2Crossref$$oP. J. Webster Alloys and Compounds of d-Elements with Main Group Elements. Part 2 1988$$tAlloys and Compounds of d-Elements with Main Group Elements. Part 2$$y1988
000154962 999C5 $$1K. R. A. Ziebeck$$2Crossref$$oK. R. A. Ziebeck Magnetic Properties of Metals 2001$$tMagnetic Properties of Metals$$y2001
000154962 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRev.49.931
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