Antiferromagnetism and atomic disorder in Fe2VSi

被引：13

作者：

Fujii, S ^{[1
]}

Ishida, S

Asano, S

机构：

[1] Kagoshima Univ, Fac Sci, Dept Phys, Kagoshima 8900065, Japan

[2] Univ Tokyo, Coll Arts & Sci, Inst Phys, Meguro Ku, Tokyo 1530041, Japan

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2004年 / 73卷 / 02期

关键词：

antiferromagnetism; atomic disorder; heusler alloy; Fe2VSi; LMTO-ASA;

D O I：

10.1143/JPSJ.73.459

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

To expand our knowledge of Fe2VSi, band calculations (LMTO-ASA) have been performed for paramagnetic (P), ferromagnetic (F) and antiferromagnetic (AF) orderings. The total-energy results show the following facts: AF is the most stable among those orderings; The deformation from cubic to tetragonal structures contributes to the stabilization of AF. These facts were also investigated in terms of "band energy" estimated from DOS. Concerning magnetic moments, those on Fe atoms are slightly enhanced from F to AF The result for (Fe15/16V1/16)(2)(V7/8Fe1/8)Si indicates the possibility of the existence of Fe atoms with large magnetic moments due to the atomic disorder between Fe and V atoms.

引用

页码：459 / 463

页数：5

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