Electronic structures and surface magnetism of Ni(100) at finite temperatures

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, , Citation H Hasegawa 1987 J. Phys. F: Met. Phys. 17 679 DOI 10.1088/0305-4608/17/3/013

0305-4608/17/3/679

Abstract

Magnetic and one-electron properties of Ni(100) at finite temperatures are studied by the author's recently developed calculation method in which effects of spin fluctuations on the first ten layers of the semi-infinite FCC lattice, described by the realistic canonical d-band model, are included by means of the functional-integral method within the static and single-site coherent potential approximations. It is shown that the surface moment, whose ground-state value is slightly enhanced compared with the bulk one, decreases more rapidly than the bulk upon heating. The calculation of spectral densities indicates that their exchange-split peaks at all the investigated wave-vectors in the surface Brillouin zone approach each other with broadened linewidth when the temperature is raised. The recent ARPE experiments probing the bulk band structure are discussed on the basis of the calculated surface and bulk spectral densities.

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10.1088/0305-4608/17/3/013