@article{9a51eb9a57144b42895e62f2ffd580e3,
title = "All-electron self-consistent determination of spin-polarization and knight shift of A Pt(001)film",
abstract = "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.",
author = "Wang, {Ding sheng} and Freeman, {A. J.} and M. Weinert",
note = "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.",
year = "1983",
month = feb,
doi = "10.1016/0304-8853(83)90727-8",
language = "English (US)",
volume = "31-34",
pages = "891--892",
journal = "Journal of Magnetism and Magnetic Materials",
issn = "0304-8853",
publisher = "Elsevier",
number = "PART 2",
}