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cond-mat.mtrl-sci2003
Charge Distributions in Metallic Alloys: a Charge Excess Functional theory approach
Ezio Bruno, Leon Zingales, Yang Wang
The distribution of local charge excesses (DLC) in metallic alloys, previously obtained as a result of the analysis of order N electronic structure calculations, is derived from a…
cond-mat.mtrl-sci2003
The easy axis of the magnetic response of the conduction electrons of yttrium and rare earths
V. Thakor, J. B. Staunton, J. Poulter +3
We describe a scheme for first-principles calculations of the static, paramagnetic, spin susceptibility of metals with relativistic effects such as spin-orbit coupling included. Th…