ANTIFERROMAGNETISM IN FACE-CENTERED-TETRAGONAL IRON

被引:33
作者
PENG, SS
JANSEN, HJF
机构
[1] Department of Physics, Oregon State University, Corvallis
关键词
D O I
10.1063/1.348781
中图分类号
O59 [应用物理学];
学科分类号
摘要
The total energy of face-centered-tetragonal iron is calculated within density-functional theory. We have obtained results for nonmagnetic, ferromagnetic, and antiferromagnetic iron. In the range of tetragonal structures we have studied, our total-energy calculations for the ferromagnetic phase give just two minima: One is nearly bcc (c/a = 0.71) and one is nearly fcc (c/a = 1). The antiferromagnetic phase yields only one minimum near the fcc structure, but is unstable near the bcc structure. The global minimum in total energy is antiferromagnetic. The difference in total energy between ferromagnetic and antiferromagnetic iron shows an oscillatory behavior as a function of c/a. Our results show that it might be possible to grow iron films with a large in-plane lattice constant that have an antiferromagnetic ordering.
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页码:6132 / 6134
页数:3
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