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cond-mat.mtrl-sci2014
Shift of Fermi level by substitutional impurity-atom doping in diamond and cubic- and hexagonal-boron nitrides II. Generalized Gradient Approximation
Koji Kobashi
In succession to the first paper (arXiv 1406.6204v5), the impurity-atom concentrations when the Fermi levels are either at the valence band maximum (VBM) or the conduction band min…
cond-mat.mtrl-sci2014★ 2 cited
Shift of Fermi level by substitutional impurity-atom doping in diamond and cubic- and hexagonal-boron nitrides
Koji Kobashi
The density of states and the band diagrams were computed for diamond, cubic boron nitrde (cBN), and hexagonal boron nitride (hBN) using a Korringa-Kohn-Rostoker (KKR) scheme to in…