Magnetism in Body-Centered Tetragonal FeRh_<1-x>Pd_x Alloys (II) Band Structure

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概要

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• First-principle spin-polarized band calculations were performed for the body-centered tetragonal FeRh_<1-x>Pd_x alloys with x=0, 0.5 and 1 as a function of the axial ratio c/a using the LMTO method. The energetically competing ferromagnetic and antiferromagnetic states were found to exist in bcc FeRh and bct FeRh_<0.5>Pd_<0.5>, as experimentally expected. The substitution of Pd for Rh hardly changes the shape of the density of states but simply raises the Fermi level when the axial ratio is fixed at a constant value. The tetragonal lattice elongation removes the degeneracy of the Fe d-band, and a large peak of DOS in the minority spin band for the bcc structure splits into two peaks for the bct structure, resulting in a reduction of the Fe magnetic moment. The large tetragonal elongation in the FeRh_<1-x>Pd_x system is induced by the band Jahn-Teller effect.

• 社団法人日本物理学会の論文
• 1995-12-15

著者

• Yuasa Shinji

  Department Of Physics Faculty Of Science And Technology Keio University

• Sakuma A

  Hitachi Metals Ltd. Saitama

• Sakuma Akimasa

  Magnetic & Electronic Materials Research Laboratory Hitachi Metal Ltd

• Miyajima Hideki

  Department Of Physics Faculty Of Science And Technology Keio University

• Otani Yoshichika

  Department of Physics, Faculty of Science and Technology, Keio University

• Otani Y

  Tohoku Univ. Sendai

• Otani Yoshichika

  Department Of Physics Faculty Of Science And Technology Keio University

• Sakuma Akimasa

  Advanced Electronics Research Laboratory Hitachi Metals Ltd.

• Otani YoshiChika

  Department of Material Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083, People's Republic of China

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