3 papers
cond-mat.mes-hall2012
Magnetic states and optical properties of single-layer carbon-doped hexagonal boron nitride
Hyoungki Park, Amita Wadehra, John W. Wilkins +1
We show that carbon-doped hexagonal boron nitride (h-BN) has extraordinary properties with many possible applications. We demonstrate that the substitution-induced impurity states,…
cond-mat.mtrl-sci2010
Band offsets of semiconductor heterostructures: a hybrid density functional study
Amita Wadehra, Jeremy W. Nicklas, John W. Wilkins
We demonstrate the accuracy of the hybrid functional HSE06 for computing band offsets of semiconductor alloy heterostructures. The highlight of this study is the computation of con…
cond-mat.mtrl-sci2010
Phase transformation in Si from semiconducting diamond to metallic beta-Sn phase in QMC and DFT under hydrostatic and anisotropic stress
R. G. Hennig, A. Wadehra, K. P. Driver +3
Silicon undergoes a phase transition from the semiconducting diamond phase to the metallic beta-Sn phase under pressure. We use quantum Monte Carlo calculations to predict the tran…