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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 891-892 |
| Number of pages | 2 |
| Journal | Journal of Magnetism and Magnetic Materials |
| Volume | 31-34 |
| Issue number | PART 2 |
| DOIs | |
| State | Published - Feb 1983 |
Funding
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.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics