44 citations · 88 across the 9 of their papers we have counts for
19 papers · 1 filter
Vibrational properties of CuInP2S6 across the ferroelectric transition
Sabine N. Neal, Sobhit Singh, Xiaochen Fang +6
In order to explore the properties of a two-sublattice ferroelectric, we measured the infrared and Raman scattering response of CuInP2S6 across the ferroelectric and glassy transit…
Vibrational fingerprints of ferroelectric hafnia
Shiyu Fan, Sobhit Singh, Xianghan Xu +6
Hafnia (HfO2) is a promising material for emerging chip applications due to its high-k dielectric behaviour, suitability for negative capacitance heterostructures, scalable ferroel…
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…
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…
Kinetically-stabilized Ferroelectricity in Bulk Singlecrystalline HfO2:Y without Wake-up Effects
Xianghan Xu, Fei-Ting Huang, Yubo Qi +6
HfO2, a simple binary oxide, holds ultra-scalable ferroelectricity integrable into silicon technology. Polar orthorhombic (Pbc21) form in ultra-thin-films ascribes as the plausible…