Surface magnetic moment in α-uranium by density-functional theory

Recently there has been an increased interest in first-principles calculations of the actinides, as well as in finding new materials that 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, including spin-orbit coupling. The surface ferromagnetic phase is energetically favored for all geometries. The calculated total magnetic moment, 0.65μ_B, should be observable in spin-polarized photoemission, magnetic circular dichroism, or Kerr effect experiments.