Magnetism in Body-Centered Tetragonal FeRh<sub>1- x </sub>Pd<sub> x </sub> Alloys (II) Band Structure
作者: Akimasa SakumaShinji YuasaHideki MiyajimaYoshichika Otani
刊名: Journal of the Physical Society of Japan, 1995, Vol.64 (12), pp.4914-4922
来源数据库: The physical Society of Japan
DOI: 10.1143/JPSJ.64.4914
关键词: LMTO methodelectronic structureFeRh1- x Pdxbody-centered tetragonalstructuretetragonal elongation effectband Jahn-Teller effect
原始语种摘要: First-principle spin-polarized band calculations were performed for the body-centeredtetragonal FeRh1- x Pd x alloys with x =0, 0.5 and 1 as a function of the axialratio c / a using the LMTO method. The energetically competing ferromagnetic andantiferromagnetic states were found to exist in bcc FeRh and bct FeRh0.5Pd0.5, asexperimentally expected. The substitution of Pd for Rh hardly changes the shape of thedensity of states but simply raises the Fermi level when the axial ratio is fixed at a constantvalue. The tetragonal lattice elongation removes the degeneracy of the Fe d -band, and alarge peak of DOS in the minority spin band for the bcc structure splits into two peaks forthe bct structure, resulting in a reduction of the Fe magneticmoment....
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  • Interactive Interface 合金
  • competing 竞争
  • expected 预期
  • minority 少数
  • Alloys 合金
  • II 合金
  • elongation 伸长
  • level 水准
  • system 
  • polarized 极化的
  • tetragonal 正方晶系的