4 papers · 1 filter
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…
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…
Anisotropic and incommensurate spin fluctuations in hcp iron and some other nearly magnetic metals
V. Thakor, J. B. Staunton, J. Poulter +3
We present an ab initio theoretical formalism for the static paramagnetic spin susceptibility of metals at finite temperatures. Since relativistic effects, e.g. spin-orbit coupling…
Fermi surface origin of the interrelationship between magnetocrystalline anisotropy and compositional order in transitional metal alloys
S. S. A. Razee, J. B. Staunton, B. Ginatempo +2
Recently, we outlined a scheme to investigate the effects of compositional order on the magnetocrystalline anisotropy of alloys from a first-principles electronic structure point o…