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CoFe 박막의 자성과 자기결정이방성에 대한 제일원리계산
김은구(Eun Gu Kim),제갈소영(So Young Jekal),권오룡(Oryong Kwon),홍순철(Soon Cheol Hong) 한국자기학회 2014 韓國磁氣學會誌 Vol.24 No.2
We investigate magnetism and magnetocrystalline anisotropy of CoFe thin films, using VASP code in GGA. In this study Coterminated and Fe-terminated 5-layer CoFe thin films are employed. The Co-terminated CoFe thin film shows two total energy minima at 2-dimensional lattice constants of 2.45 A and 2.76 A. The film of 2.45 A has fcc-like structure and the film of 2.76 A has bcc-like structure similarly to a bulk CoFe alloy. And the fcc-like film is more stable by the energy difference of about 160 meV compared to the bcc-like film. The Fe-terminated CoFe film shows very complicated behaviour of total energy which is suspected to be closely related to its complex magnetic structure. The Co-terminated CoFe film of 2.76 A shows perpendicular magnetocrystalline anisotropy (MCA), while the film of 2.45 does parallel MCA. The Fe-terminated CoFe film also exhibits similar MCA behaviour.