24 citations · 57 across the 6 of their papers we have counts for
6 papers
Calculation of thermal expansion coefficient of Fe/sub 3/Al with the addition of transition metal elements
Tatiana Seletskaia, Leonid Muratov, Bernard Cooper
The addition of transition metal elements can significantly modify physical properties of intermetalic compounds. We studied the influence of Molybdenum and Vanadium additives on t…
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…
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…
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…
Strongly Correlated Cerium Systems: Non-Kondo Mechanism for Moment Collapse
Eric M. Collins, Nicholas Kioussis, Say Peng Lim +1
We present an ab initio based method which gives clear insight into the interplay between the hybridization, the coulomb exchange, and the crystal-field interactions, as the degree…
Hydrogen atom in a spherical well: linear approximation
David Djajaputra, Bernard R. Cooper
We discuss the boundary effects on a quantum system by examining the problem of a hydrogen atom in a spherical well. By using an approximation method which is linear in energy we c…