105 citations · 156 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2002★ 12 cited
Systematic first-principles study of impurity hybridization in NiAl
David Djajaputra, Bernard R. Cooper
We have performed a systematic first-principles computational study of the effects of impurity atoms (boron, carbon, nitrogen, oxygen, silicon, phosporus, and sulfur) on the orbita…
cond-mat.mtrl-sci2002★ 1 cited
Tight-binding parameters from the full-potential linear muffin-tin orbital method: A feasibility study on NiAl
David Djajaputra, Bernard R. Cooper
We have examined a method of direct extraction of accurate tight-binding parameters from an ab-initio band-structure calculation. The linear muffin-tin potential method, in its ful…
cond-mat.mtrl-sci2001★ 14 cited
Oxygen impurities in NiAl: Relaxation effects
David Djajaputra, Bernard R. Cooper
We have used a full-potential linear muffin-tin orbital method to calculate the effects of oxygen impurities on the electronic structure of NiAl. Using the supercell method with a…