First-Principles Electronic Structure Calculation of LaCo_2 in MgCu_2 Structure(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
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概要
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We have studied the magnetic properties of LaCo_2 in a MgCu_2 structure by first-principles electronic structure calculation. The Korringa-Kohn-Rostoker method is utilized to evaluate the spin-moment dependence of total energy at zero temperature. When the external magnetic field is zero, the ground state has no net spin as determined by local-spin density approximation (LSDA). The obtained result is the same when the energy functional of a generalized gradient approximation is used. The fixed spin moment method, which successfully confirms the metamagnetic transition of YCo_2 in LSDA, is applied to LaCo_2. Our calculation suggests the occurrence of metamagnetic transition in LaCo_2.
- 社団法人日本物理学会の論文
- 2007-08-15
著者
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Suzuki Naoshi
Graduate School Of Engineering Science Osaka University
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KUSAKABE Koichi
Graduate School of Engineering Science, Osaka University
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Geshi Masaaki
Graduate School Of Engineering Science Osaka University
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Kusakabe Koichi
Graduate School Of Engineering Science Osaka University
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SASAKI Soichiro
Graduate School of Engineering Science, Osaka University
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NAGARA Hitose
Graduate School of Engineering Science, Osaka University
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Nagara Hitose
Graduate School Of Engineering Science Osaka University
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Sasaki Soichiro
Graduate School Of Engineering Science Osaka University
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Nagara Hitose
Osaka Univ. Osaka
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SUZUKI Naoshi
Graduate School of Engineering Science, Osaka University
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