37 citations · 81 across the 7 of their papers we have counts for
5 papers · 1 filter
Wyckoff-Resolved Oxidation-State Atlas and Anion-Conditioned Priors for Materials Discovery
Boris Kiefer
We introduce a Wyckoff-resolved oxidation-state atlas and assignment utility for probabilityranked, charge-neutral assignment from compositions or Wyckoff grammars. The atlas is co…
Enhanced piezoelectric response at nanoscale vortex structures in ferroelectrics
Xiaowen Shi, Nimish Prashant Nazirkar, Ravi Kashikar +13
The piezoelectric response is a measure of the sensitivity of a material's polarization to stress or its strain to an applied field. Using in-operando x-ray Bragg coherent diffract…
High Mobility Two-Dimensional Electron Gas at the BaSnO/SrNbO Interface
Sharad Mahatara, Suresh Thapa, Hanjong Paik +2
Oxide two-dimensional electron gases (2DEGs) promise high charge carrier concentrations and low-loss electronic transport in semiconductors such as BaSnO (BSO). ACBN0 computa…
Uranium at High Pressure from First Principles
S. Adak, H. Nakotte, P. F. de Châtel +1
The equation of state, structural behavior and phase stability of α-uranium have been investigated up to 1.3 TPa using density functional theory, adopting a simple description of e…
Evidence of local magnetic order in hcp iron from Raman mode splitting
Gerd Steinle-Neumann, Lars Stixrude, R. E. Cohen +1
Experimental measurements of Raman spectra for hcp iron at high pressure show two modes over a considerable pressure range in contrast to the prediction of one doubly degenerate mo…