PREDICTED C(2X2) BUCKLING RECONSTRUCTION OF MONOLAYER MN ON FE(001) AND ITS IMPORTANCE TO THE INTERFACIAL MAGNETIC-ORDERING

被引:73
作者
WU, RQ
FREEMAN, AJ
机构
[1] Department of Physics and Astronomy, Northwestern University, Evanston
来源
PHYSICAL REVIEW B | 1995年 / 51卷 / 23期
关键词
D O I
10.1103/PhysRevB.51.17131
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The structural, electronic, and magnetic properties of a Mn monolayer on Fe(001) have been investigated using total energy and atomic forces calculated with the local density full potential linearized augmented plane wave method. A strong interplay between magnetism and atomic structure was observed. The antiparallel alignment in the Mn plane of the large (3.1μB) magnetic moment is found to drive a c(2×2) buckling reconstruction in the Mn overlayer. Due to hybridization with the magnetic Fe(001) substrate, the valence bands of the two different Mn atoms differ substantially; however, the net magnetic circular dichroism signal for the Mn overlayer is predicted to be almost zero. © 1995 The American Physical Society.
引用
收藏
页码:17131 / 17134
页数:4
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