Electronic structure and magnetism of CrAu 3  nano films: density functional study | Zendy

Kwon Youngsoo | Zendy; Cho Sunglae | Zendy; Hong Soon C. | Zendy

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Electronic structure and magnetism of CrAu 3 nano films: density functional study

Author(s) -

Kwon Youngsoo,

Cho Sunglae,

Hong Soon C.

Publication year - 2004

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.200304582

Subject(s) - antiferromagnetism , magnetism , magnetic moment , magnetic structure , monolayer , condensed matter physics , chemistry , crystallography , materials science , physics , nanotechnology , magnetization , magnetic field , quantum mechanics

Magnetism of some CrAu 3 nano films [free standing CrAu(001) monolayer, 1(CrAu)/1Au/1(CrAu)(001), 1(CrAu)/3Au/1(CrAu)(001), 1Au/1(CrAu)/1Au, and 1(CrAu)/1Au/1(CrAu)/1Au/1(CrAu)] were investigated using the FLAPW method with the PBE‐version of GGA for exchange‐correlation potential. The nano films were calculated to be stable in an in‐plane antiferromagnetic state. 1(CrAu)/1Au/1(CrAu)/ 1Au/1(CrAu) was calculated to be stable in L1 2 G‐type antiferromagnetic structure. The calculated magnetic moments of Cr are about 3.9 μ B and 3.7 μ B at the surface and in the center layer, respectively. For comparison, calculations on bulk CrAu 3 have been done for plausible magnetic structures (PM, FM, and some AFM states) for L1 2 and D0 22 crystal structures. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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