论文信息 - Electronic Band Structures of Cu 2 Sb-Type Intermetallic Compounds

Electronic Band Structures of Cu 2 Sb-Type Intermetallic Compounds

Self-consistent APW band calculations are carried out for non-magnetic states of transition-metal intermetallic compounds having Cu 2 Sb-type crystal structure. The energy dispersions, densities of states and Fermi surfaces are shown. Differences and similarities of the electronic band structures of Cr, Mn, Fe-arsenides are clarified. To discuss the bonding nature, calculations of the bond order are also carried out.

K. Motizuki | A. Yamada | T. Chonan

[1] O. Jepson,et al. The electronic structure of h.c.p. Ytterbium , 1993 .

[2] N. Suzuki,et al. Bond order in TiS2 and FeTiS2 , 1988 .

[3] Heine,et al. Local-orbital analysis of the oxygen-nickel (001) bond from self-consistent electronic structure. , 1985, Physical review. B, Condensed matter.

[4] B. Lundqvist,et al. Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism , 1976 .

[5] K. Shirakawa,et al. Magnetic Transition of the Mn2Sb-Mn2As System , 1976 .

[6] Marvin L. Cohen,et al. Special Points in the Brillouin Zone , 1973 .

[7] G. Lehmann,et al. On the Numerical Calculation of the Density of States and Related Properties , 1972 .

[8] Hiroshi Watanabe,et al. Neutron Diffraction Study of Cr 2 As , 1972 .

[9] Hiroshi Watanabe,et al. Magnetic Properties of (Cr, Mn)2 As System , 1971 .

[10] Hiroshi Watanabe,et al. On the Neutron Diffraction Study of Cr 2 As , 1965 .

[11] M. Yamada,et al. On the Magnetic Properties of the Compound Mn_2As , 1960 .

[12] M. K. Wilkinson,et al. The magnetic structure of Mn2Sb , 1957 .