155 citations · 1.1k across the 27 of their papers we have counts for
6 papers · 1 filter
Tuning Bandgap and Energy Stability of Organic-Inorganic Halide Perovskites through Surface Engineering
Rahul Singh, Prashant Singh, Ganesh Balasubramanian
Organohalide perovskite with a variety of surface structures and morphologies have shown promising potential owing to the choice of the type of heterostructure dependent stability.…
Twinning-induced pseudoelastic behavior in (MoW)(TaTi)Zr
Aayush Sharma, Valery I. Levitas, Prashant Singh +3
We provide a critical atomistic evidence of pseudoelastic behavior in complex solid-solution BCC Mo-W-Ta-Ti-Zr alloy. Prior to this work, only limited single-crystal BCC solids of…
Revealing the nature of antiferro-quadrupolar ordering in Cerium Hexaboride: CeB
Chanchal Barman, Prashant Singh, Duane D. Johnson +1
Cerium-hexaboride (CeB) f-electron compound displays a rich array of low-temperature magnetic phenomena, including `magnetically hidden' order, identified as multipolar in orig…
Enhanced stability of 2D organic-inorganic halide perovskites by doping and heterostructure engineering
Rahul Singh, Prashant Singh, Ganesh Balasubramanian
Organic-inorganic halide perovskite solar cells have recently attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. The red…
Simple correction to bandgap in IV and III-V semiconductors: an improved first-principles local density functional theory
Sujoy Datta, Prashant Singh, Chhanda B. Chaudhuri +4
We report results from a fast, efficient, and first-principles full-potential N-order muffin-tin orbital (FP-NMTO) method combined with van Leeuwen-Baerends correction to lo…
Tuning phase-stability and short-range order through Al-doping in (CoCrFeMn)100-xAlx high entropy alloys
Prashant Singh, Amalraj Marshal, Andrei V. Smirnov +4
For (CoCrFeMn)Al high-entropy alloys, we investigate the phase evolution with increasing Al-content (0 x 20 at.%). From first-principles theory, the Al-…