First-principles determination of the rhombohedral magnetostriction of Fe100-xAlx and Fe100-xGax alloys

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	First-principles determination of the rhombohedral magnetostriction of Fe100-xAlx and Fe100-xGax alloys
	Y. N. Zhang; H. Wang; R. Q. Wu
	2012
发表期刊	Physical Review B
ISSN	1098-0121
卷号	86 期号:22
摘要	Through systematic density functional calculations using the full potential linearized augmented plane-wave (FLAPW) method, the rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax alloys are studied for x up to 25. Theoretical calculations satisfactorily reproduce the main features of experimental lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed analyses on electronic and structural properties indicate the importance of availability and symmetry of dangling bonds for the sign change of lambda(111) around x = 16. In addition, the impurity induced local distortion might be a possible reason for the disagreement between theory and experiment for lambda(111) of the bulk bcc Fe. DOI: 10.1103/PhysRevB.86.224410
部门归属	[zhang, yanning; wang, hui; wu, ruqian] univ calif irvine, dept phys & astron, irvine, ca 92697 usa. [wang, hui] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [wang, hui] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zhang, yn (reprint author), univ calif irvine, dept phys & astron, irvine, ca 92697 usa.
关键词	Fe-ga Alloys Al Alloys Magnetoelasticity Surfaces Anisotropy Galfenol Model
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60464
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. N. Zhang,H. Wang,R. Q. Wu. First-principles determination of the rhombohedral magnetostriction of Fe100-xAlx and Fe100-xGax alloys[J]. Physical Review B,2012,86(22).
APA	Y. N. Zhang,H. Wang,&R. Q. Wu.(2012).First-principles determination of the rhombohedral magnetostriction of Fe100-xAlx and Fe100-xGax alloys.Physical Review B,86(22).
MLA	Y. N. Zhang,et al."First-principles determination of the rhombohedral magnetostriction of Fe100-xAlx and Fe100-xGax alloys".Physical Review B 86.22(2012).