14 citations · 28 across the 4 of their papers we have counts for
5 papers · 1 filter
High-pressure elastic properties of GeO2 polymorphs up to 120 GPa
Gulshan Kumar, Sumit Ghosh, Sharad Babu Pillai +1
We systematically investigated the phase stability and pressure dependence of the elastic properties of four GeO2 polymorphs: rutile-, CaCl2-, alpha-PbO2-, and pyrite-type phases u…
Unexpected persistence of cis-bridged chains in compressed AuF3
Dominik Kurzydłowski, Serhiy Kobyakov, Zoran Mazej +3
Raman scattering measurements indicate that cis-bridged chains are retained in AuF3 even at a compression of 45 GPa - in contrast to meta-GGA calculations suggesting that structure…
High-pressure phase transitions of zinc difluoride up to 55 GPa
Dominik Kurzydłowski, Anna Oleksiak, Sharad Babu Pillai +1
Studying the effect of high pressure (exceeding 10 kbar) on the structure of solids allows to gain deeper insight in the mechanism governing crystal structure stability. Here we re…
A first-principles investigation of Topological Phase Transition in face-centred cubic LiMgBi
Raghottam M Sattigeri, Sharad Babu Pillai, Prafulla K Jha +1
Topological Insulators (TI) exhibit robust spin-locked dissipationless Fermion transport along the surface states. In the current study, we use \textit{first-principles} calculatio…
First-principles high pressure studies on group-14 element pernitrides
Sharad Babu Pillai, Himadri R. Soni, Prafulla K. Jha
The search for ultra hard materials is inevitable in high pressure device applications. Nitrides of group-14 elements have been foreseen as potential candidates in replacing existi…