155 citations · 1.1k across the 27 of their papers we have counts for
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Ta-Nb-Mo-W refractory high-entropy alloys: anomalous ordering behavior and its intriguing electronic origin
Prashant Singh, A. V. Smirnov, Duane D. Johnson
From electronic-structure-based thermodynamic linear-response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed -- applying i…
Design of high-strength refractory complex solid-solution alloys
Prashant Singh, Aayush Sharma, Andrei V. Smirnov +4
Nickel-based superalloys and near-equiatomic high-entropy alloys containing Molybdenum are known for higher temperature strength and corrosion resistance. Yet, complex solid-soluti…
Better band gaps for wide-gap semiconductors from a locally corrected exchange-correlation potential that nearly eliminates self-interaction errors
Prashant Singh, Manoj K. Harbola, Duane D. Johnson
This work constitutes a comprehensive and improved account of electronic-structure and mechanical properties of silicon-nitride (Si3N4) polymorphs via van Leeuwen and Baerends (LB)…