88 citations · 176 across the 11 of their papers we have counts for
4 papers · 1 filter
Polarization selectivity of aloof-beam electron energy-loss spectroscopy in one-dimensional ZnO nanorods
Yao-Wen Yeh, Sobhit Singh, David Vanderbilt +1
Orientation dependent electronic properties of wurtzite zinc oxide nanorods are characterized by aloof beam electron energy-loss spectroscopy (EELS) carried out in a scanning trans…
High-temperature phonon-mediated superconductivity in monolayer Mg2B4C2
Sobhit Singh, ? Aldo H. Romero, José D. Mella +5
A new two-dimensional material { Mg2B4C2, belonging to the family of the conventional superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical tem…
Exploring DFT parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling
Pedram Tavadze, Reese Boucher, Guillermo Avendaño-Franco +7
Density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use…
Polarization switching mechanism in HfO from first-principles lattice mode analysis
Yubo Qi, Sobhit Singh, Karin M. Rabe
In this work, we carry out first-principles calculations and lattice mode analysis to investigate the polarization switching mechanism in HfO. Because the stability of the pola…