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RISS 인기검색어
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- 저자 : 임성현(S. H. Rhim) (검색결과 2 건)
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임성현(S. H. Rhim),홍순철(Soon Cheol Hong) 한국자기학회 2017 韓國磁氣學會誌 Vol.27 No.5
This review aims a brief and short-handed introduction to nonexperts, where most contents are based on talk given in Summer School 2017 in Pohang. Detailed derivations and formalism are avoided unless it is necessary to present. Historical evolution of density functional theory (DFT) is provided to grasp the main motivation of first-principles calculations in a more broad perspective. By doing so, a list of acronyms is shown, which in many cases become an obstacle to newcomers. Furthermore, a classification of DFT packages according to vendors, methods, and others is provided for better understanding. Next, the practical employment of ab initio calculations in magnetism is introduced, which includes spintronics, for more specifically, spin and anomalous Hall effect (SHE and AHE), magnetocrystalline anisotropy (MCA), magneto-optical Kerr effect (MOKE). Also, ingredients for DFT calculations - human, package, and infrastructure (cluster or supercomputing center) are briefly outlined. To do so, we expect long-term improvement and investment in our field, which in turn help other expertises.
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정태성(Tae Sung Jeong),제갈소영(Soyoung Jekal),임성현(S. H. Rhim),홍순철(S. C. Hong) 한국자기학회 2017 韓國磁氣學會誌 Vol.27 No.2
Recent study shows that ordered alloy of L1₂ XPt₃ (M= V, Cr, Mn, Co, and Fe) exhibits various magnetic phases such as ferromagnetic-to-antiferromagnetic transition at the MnPt₃ surface. Moreover, it has been argued that CrPt₃, in particular, possess large magnetocrystalline anisotropy and Kerr rotation with possible violation of Hund’s rule. As such, we extend our work to thickness dependence of the magnetic structure of CrPt₃ thin film using density functional theory. Magnetic ground state of the bulk CrPt₃ turns out to be ferromagnetic (FM), where other magnetic phases such as A-type (A-AF), C-type (C-AF), and G-type antiferromagnetic (GAF) state have higher total energies than FM by 0.517, 0.591, and 0.183 eV, respectively, and magnetic moments of Cr in bulk are respectively 2.807 (FM), 2.805 (A-AF), 2.794 (C-AF) and 2.869 μ<SUB>B</SUB> (G-AF). We extend our study to CrPt₃(001) thin films with CrPtand Pt-termination. The thickness and surface-termination dependences of magnetism are investigated for 3-9 monolayers (ML), where different magnetic phases from bulk emerge: C-AF for CrPt-terminated 3ML and G-AF for Pt-terminated 5ML have energy difference relative to FM by 8 and 54 meV, respectively. Furthermore, thickness- and surface-termination-dependent magnetocrystalline anisotropies of the CrPt₃(001) films are discussed.
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