A critical evaluation of GGA + U modeling for atomic, electronic and magnetic structure of Cr2AlC, Cr2GaC and Cr2GeC

Author: Alling B   Rosen J   Dahlqvist M  

Publisher: IOP Publishing

E-ISSN: 1361-648X|27|9|95601-95608

ISSN: 0953-8984

Source: Journal of Physics: Condensed Matter, Vol.27, Iss.9, 2015-03, pp. : 95601-95608

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Abstract