ELECTRONIC BAND STRUCTURES OF CU2SB-TYPE INTERMETALLIC COMPOUNDS

被引:27
作者
CHONAN, T
YAMADA, A
MOTIZUKI, K
机构
[1] Department of Material Physics, Faculty of Engineering Science, Osaka University
关键词
ELECTRONIC BAND; CR2AS; CRMNAS; MN2AS; FE2AS; MNFEAS; MN2SB; APW; BOND ORDER;
D O I
10.1143/JPSJ.60.1638
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Self-consistent APW band calculations are carried out for non-magnetic states of transition-metal intermetallic compounds having Cu2Sb-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.
引用
收藏
页码:1638 / 1646
页数:9
相关论文
共 12 条
  • [1] SPECIAL POINTS IN BRILLOUIN ZONE
    CHADI, DJ
    COHEN, ML
    [J]. PHYSICAL REVIEW B, 1973, 8 (12): : 5747 - 5753
  • [2] LOCAL-ORBITAL ANALYSIS OF THE OXYGEN NICKEL (001) BOND FROM SELF-CONSISTENT ELECTRONIC-STRUCTURE
    GODBY, RW
    BENESH, GA
    HAYDOCK, R
    HEINE, V
    [J]. PHYSICAL REVIEW B, 1985, 32 (02): : 655 - 661
  • [3] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM
    GUNNARSSON, O
    LUNDQVIST, BI
    [J]. PHYSICAL REVIEW B, 1976, 13 (10) : 4274 - 4298
  • [4] ELECTRONIC STRUCTURE OF HCP YTTERBIUM
    JEPSEN, O
    ANDERSEN, OK
    [J]. SOLID STATE COMMUNICATIONS, 1971, 9 (20) : 1763 - +
  • [5] NUMERICAL CALCULATION OF DENSITY OF STATES AND RELATED PROPERTIES
    LEHMANN, G
    TAUT, M
    [J]. PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1972, 54 (02): : 469 - 477
  • [6] MAGNETIC TRANSITION OF MN2SB-MN2AS SYSTEM
    SHIRAKAWA, K
    IDO, H
    [J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1976, 40 (03) : 666 - 673
  • [7] Sirota N. N., 1972, Soviet Physics - Doklady, V17, P370
  • [8] BOND ORDER IN TIS2 AND FETIS2
    SUZUKI, N
    YAMASAKI, T
    MOTIZUKI, K
    [J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (36): : 6133 - 6141
  • [9] THE MAGNETIC STRUCTURE OF MN2SB
    WILKINSON, MK
    GINGRICH, NS
    SHULL, CG
    [J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1957, 2 (04) : 289 - 300
  • [10] MAGNETIC-PROPERTIES OF (CR,MN)2AS SYSTEM
    YAMAGUCHI, Y
    WATANABE, H
    [J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1978, 44 (06) : 1782 - 1786