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Ab initio calculations of magnetic properties of Fe–Cr trilayer as a function of ferromagnetic slab thickness
Author(s) -
Pereiro M.,
Baldomir D.,
Man'kovsky S.,
Arias J.
Publication year - 2002
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10421
Subject(s) - condensed matter physics , ferromagnetism , ab initio , magnetic moment , slab , atom (system on chip) , density functional theory , materials science , plane wave , ab initio quantum chemistry methods , monolayer , function (biology) , plane (geometry) , quantum , chemistry , computational chemistry , physics , quantum mechanics , geometry , nanotechnology , molecule , mathematics , evolutionary biology , geophysics , computer science , biology , embedded system
Most of the articles devoted to giant magnetoresistance phenomenon take into account only the thickness variation of the spacer. Within this work, we study the magnetic behavior of the trilayer system Fe/Cr/Fe (0 0 1) after changing the thickness of the magnetic layers (Fe layers) and keeping the spacer constant (Cr layers). The calculations were done at the ab initio level by means of density functional theory, solving the Kohn–Sham equations with the full‐potential linearized augmented plane wave method. These results show an oscillatory behavior of magnetic moment per atom as a function of the iron monolayers number. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003