THEORETICAL-STUDY OF MAGNETIC-ORDERING OF CU2SB-TYPE INTERMETALLIC COMPOUNDS

被引：7

作者：

MOTIZUKI, K ^{[1
]}

SUZUKI, M ^{[1
]}

SHIRAI, M ^{[1
]}

机构：

[1] OSAKA UNIV,FAC ENGN SCI,DEPT MAT PHYS,TOYONAKA,OSAKA 560,JAPAN

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS | 1993年 / 32卷

关键词：

ELECTRONIC BAND STRUCTURE; APW METHOD; LAPW METHOD; CU2SB-TYPE STRUCTURE; HUBBARD HAMILTONIAN; HARTREE-FOCK APPROXIMATION; MAGNETIC ORDERING; BOND ORDER;

D O I：

10.7567/JJAPS.32S3.221

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Electronic band structures of the Cu2Sb-type intermetallic compounds are calculated by using a self-consistent augmented plane wave (APW) or a linearized APW (LAPW) method. In order to clarify the driving forces for different kinds of magnetic orderings in the CU2Sb-type compounds, the instability of the non-magnetic phase against formation of the magnetic orderings are studied on the basis of the Hubbard Hamiltonian. The magnetic phase diagram is constructed as a function of the intra-atomic Coulomb interaction and the electron number. The bonding nature of the electronic band near the Fermi level as well as a nesting effect of the Fermi surface plays the important role in causing the different kinds of magnetic orderings observed in the CU2Sb-type compounds.

引用

页码：221 / 226

页数：6

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