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Spin and orbital magnetism of Au 3 Co: Density functional calculations
Author(s) -
Sargolzaei Mahdi,
Opahle Ingo,
Richter Manuel
Publication year - 2006
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.200562430
Subject(s) - magnetocrystalline anisotropy , magnetism , spin density , condensed matter physics , metastability , spin polarization , density functional theory , magnetic moment , anisotropy , spin (aerodynamics) , orbital magnetization , chemistry , atomic orbital , physics , magnetic anisotropy , computational chemistry , quantum mechanics , magnetic field , electron , thermodynamics , magnetization
The metastable L1 2 compound Au 3 Co has been considered as a model for high Co impurity concentration in gold. The spin and orbital moments of this compound have been calculated in the framework of local spin density approximation (LSDA) with and without orbital polarization corrections, using the relativistic version of the full‐potential local orbital minimum basis code. We also calculated the magnetocrystalline anisotropy energy. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)