290 citations · 2.4k across the 52 of their papers we have counts for
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Vacancy-mediated complex phase selection in high entropy alloys
Prashant Singh, Srinivasa Thimmaiah, Bryce Thoeny +4
Phase selection in Ti-Zr-Hf-Al high-entropy alloys was investigated by in-situ high-energy Xray diffraction, single-crystal Xray diffraction, and density-functional theory ba…
First-principles concentration-wave approach to predict incipient order in high-entropy alloys: case of TiCrFeNiAl
Prashant Singh, A. V. Smirnov, Aftab Alam +1
Multi-principal-element alloys, including high-entropy alloys, experience segregation or partially-ordering as they are cooled to lower temperatures. For TiCrFeNiAl,…
Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs
Sujoy Datta, Prashant Singh, Debnarayan Jana +4
A fully self-consistent density-functional theory (DFT) with improved functionals is used to provide a comprehensive account of structural, electronic, and optical properties of C$…
Non-Fermi-liquid behaviors associated with a magnetic quantum-critical point in Sr(Co{1-x}Ni{x})2As2 single crystals
N. S. Sangeetha, L. L. Wang, A. V. Smirnov +6
Electron-doped Sr(Co{1-x}Ni{x})2As2 single crystals with compositions x = 0 to 0.9 were grown out of self-flux and SrNi2As2 single crystals out of Bi flux. The crystals were charac…
Equation of state of warm-dense boron nitride combining computation, modeling, and experiment
Shuai Zhang, Amy Lazicki, Burkhard Militzer +18
The equation of state (EOS) of materials at warm dense conditions poses significant challenges to both theory and experiment. We report a combined computational, modeling, and expe…