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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.
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页码:1638 / 1646
页数:9
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