TY - JOUR
T1 - All-electron self-consistent determination of spin-polarization and knight shift of A Pt(001)film
AU - Wang, Ding sheng
AU - Freeman, A. J.
AU - Weinert, M.
N1 - Funding Information:
The electronic and magnetic structure of the thin (5 layer) film was obtained using the all-electron full-potential linearized augmented plane wave (FLAPW) \[3\]m ethod. The local (spin) density equations \[4,5\]w ere solved self-consistently without shape approximation to the density or potential. The valence is treated semi-relativistically (all relativistic effects except spin-orbit coupling), while the core is recalculated in each iteration fully relativistically (including spin-orbit coupling). The charge density is calculated self-consistently on 45 k-points in the irreducible wedge (!/8) of the surface Brillouin zone. The magnetic effects of the Pt(001) film are obtained by introducing a constant external magnetic field, Hex t, into the self-consistency procedure. If there were no enhancement due to exchange-correlation effects then the majority (+) and minority (-) eigenvalues would be simply shifted from the paramagnetic * Supported by the US National Science Foundation ** Present address: Institute of Physics, Chinese Academy of Sciences, Beijing, People's Republic of China.
Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 1983/2
Y1 - 1983/2
N2 - Theoretical Knight shift distributions for a thin Pt(001) film show a decreased magnetic susceptibility at the surface (and hence a decrease in the magnitude of the negative core polarization) but an increased positive valence contribution resulting in a positive Knight shift at the surface in agreement with NMR results on small Pt particles.
AB - Theoretical Knight shift distributions for a thin Pt(001) film show a decreased magnetic susceptibility at the surface (and hence a decrease in the magnitude of the negative core polarization) but an increased positive valence contribution resulting in a positive Knight shift at the surface in agreement with NMR results on small Pt particles.
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U2 - 10.1016/0304-8853(83)90727-8
DO - 10.1016/0304-8853(83)90727-8
M3 - Article
AN - SCOPUS:0020705044
VL - 31-34
SP - 891
EP - 892
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
SN - 0304-8853
IS - PART 2
ER -