Abstract
Experimental advances in the characterization of magnetism at surfaces and interfaces challenged the development of highly accurate full-potential methods to solve the local-spin-density functional one-particle equations for single slab geometries. The authors report here on this advanced state of ab initio calculations in determining the magnetic properties of clean surfaces such as Ni 001, Fe 001, and Pt 001 and interfaces such as Ni/Cu. The theoretical/computational results are discussed in terms of spin-density maps, (induced) layer-decomposed magnetic moments, atomic spin-projected density of states, and hyperfine contact spin densities.
Original language | English (US) |
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Title of host publication | Journal de Physique (Paris), Colloque |
Pages | 167-176 |
Number of pages | 10 |
Edition | 12 |
State | Published - Dec 1982 |
Publication series
Name | Journal de Physique (Paris), Colloque |
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Number | 12 |
Volume | 43 |
ISSN (Print) | 0449-1947 |
Funding
This work has been supported by the National Science Foundation (Grant No. DMR 82-16543 at Northwestern University and Grant No. DMR 81-20550 at the College of William and Mary).
ASJC Scopus subject areas
- General Engineering