122 citations · 425 across the 14 of their papers we have counts for
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Pressure induced electride phase formation in calcium: A key to its strange high-pressure behavior
P. Modak, Ashok K. Verma, Peter M. Oppeneer
Elemental calcium (Ca), a simple metal at ambient conditions, has attracted huge interest because of its unusual high-pressure behavior in structural, electrical, and melting prope…
Electronic topological transitions in NbX (X = Al, Ga, In, Ge and Sn) under compression investigated by first principles calculations
P. V. Sreenivasa Reddy, V. Kanchana, G. Vaitheeswaran +2
First principles electronic structure calculations of A-15 type NbX (X = Al, Ga, In, Ge and Sn) compounds are performed at ambient and high pressures. Mechanical stability is c…
Hydrogen Bond Symmetrization in Glycinium Oxalate under Pressure
Himal Bhatt, Chitra Murli, A. K. Mishra +5
We report here the evidences of hydrogen bond symmetrization in the simplest amino acid- carboxylic acid complex, glycinium oxalate, at moderate pressures of 8 GPa using in-situ in…
Structural, Vibrational, Elastic and Topological Properties of PaN Under Pressure
P. Modak, Ashok K. Verma, A. Svane +2
Electronic, structural, vibrational and elastic properties of PaN have been studied both at ambient and high pressures, using first principles methods with several commonly used pa…
Phonon instability and structural phase transition in Vanadium under high pressure
Ashok K. Verma, P. Modak
Results of the first-principles calculations are presented for the group-VB metals V, Nb and Ta up to couple of megabar pressure. An unique structural phase transition sequence BCC…