Ferromagnetism and spin-orbital compensation in Sm intermetallics

被引:27
|
作者
Gotsis, HJ [1 ]
Mazin, II [1 ]
机构
[1] USN, Res Lab, Ctr Computat Mat Sci, Washington, DC 20375 USA
关键词
D O I
10.1103/PhysRevB.68.224427
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The electronic structure and magnetic properties of the ferromagnetic Sm intermetallics SmAl2 and SmZn have been calculated within the local density approximation (LDA)+U method. In contrast to LDA, which predicts a strong peak of 4f character in the density of states on the Fermi level, the LDA+U method predicts occupied 4f states well below the Fermi energy and empty ones well above this energy. We find a sizeable orbital magnetic moment, comparable in magnitude with the opposite oriented spin moment. This result is consistent with the recent observation of ferromagnetic spin ordering, compensated by the orbital magnetization.
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页数:6
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