Prediction of a surface magnetic moment in alpha-uranium

Details Prediction of a surface magnetic moment in alpha-uranium Prediction of a surface magnetic moment in alpha-uranium

2003-02-20

arxiv.org/abs/cond-mat/0302423v1

Physics

Condensed Matter

Materials Science

4 pages, 4 figures

Scientific paper

Recently, there has been an increased interest in first-principles calculations of the actinides as well as in finding the new materials which display surface magnetism. We predict the existence of a magnetic moment on the uranium (001) surface by performing density functional calculations for a slab geometry in the generalized gradient and local spin density approximations with included spin orbit coupling. The ferromagnetic phase is energetically favored for all geometries. The calculated total magnetic moment, $0.65{\mu_{B}}$, is stable on films of different thickness and it should be observable experimentally.

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