Articles with "properties supercell" as a keyword



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Ab initio calculations of structural and magnetic properties of Ni-Co-Mn-Cr-Sn supercell

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Published in 2017 at "Intermetallics"

DOI: 10.1016/j.intermet.2017.04.004

Abstract: Abstract The crystal lattice parameters, tetragonality degree, magnetic moments, magnetic exchange parameters in the Ni7Co1Mn5Cr1Sn2 Heusler alloy are investigated by ab initio calculations and supercell approach. Three 16-atom supercells with different atomic configurations relative to… read more here.

Keywords: structural magnetic; magnetic properties; initio calculations; calculations structural ... See more keywords