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

• Suzuki Naoshi

  Graduate School Of Engineering Science Osaka University

• KUSAKABE Koichi

  Graduate School of Engineering Science, Osaka University

• Geshi Masaaki

  Graduate School Of Engineering Science Osaka University

• Kusakabe Koichi

  Graduate School Of Engineering Science Osaka University

• SASAKI Soichiro

  Graduate School of Engineering Science, Osaka University

• NAGARA Hitose

  Graduate School of Engineering Science, Osaka University

• Nagara Hitose

  Graduate School Of Engineering Science Osaka University

• Sasaki Soichiro

  Graduate School Of Engineering Science Osaka University

• Nagara Hitose

  Osaka Univ. Osaka

• SUZUKI Naoshi

  Graduate School of Engineering Science, Osaka University

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