77 citations · 81 across the 7 of their papers we have counts for
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Coulomb correlation in presence of spin-orbit coupling: application to plutonium
Jean-Pierre Julien, Jian-Xin Zhu, Robert C. Albers
Attempts to go beyond the local density approximation (LDA) of Density Functional Theory (DFT) have been increasingly based on the incorporation of more realistic Coulomb interacti…
Many-body Electronic Structure of Metallic alpha-Uranium
Athanasios N. Chantis, R. C. Albers, M. D. Jones +2
We present results for the electronic structure of alpha uranium using a recently developed quasiparticle self-consistent GW method (QSGW). This is the first time that the f-orbita…
Reversal of spin polarization in Fe/GaAs (001) driven by resonant surface states: First-principles calculations
Athanasios N. Chantis, Kirill D. Belashchenko, Darryl L. Smith +3
A minority-spin resonant state at the Fe/GaAs(001) interface is predicted to reverse the spin polarization with voltage bias of electrons transmitted across this interface. Using a…
Spectral Properties of delta-Plutonium: Sensitivity to 5f Occupancy
Jian-Xin Zhu, A. K. McMahan, M. D. Jones +4
By combining the local density approximation (LDA) with dynamical mean field theory (DMFT), we report a systematic analysis of the spectral properties of -plutonium with varying…