214 citations · 472 across the 3 of their papers we have counts for
4 papers
Cyrstal field splitting and optical band gap of hexagonal LuFeO films
Wenbin Wang, Hongwei Wang, Xiaoying Xu +8
Hexagonal LuFeO films have been studied using x-ray absorption and optical spectroscopy. The crystal splittings of Fe are extracted as =0.7 eV and $E_{a_1…
Order-N implementation of exact exchange in extended systems
Xifan Wu, Annabella Selloni, Roberto Car
Exact (Hartree Fock) exchange is needed to overcome some of the limitations of local and semilocal approximations of density functional theory (DFT). So far, however, computational…
Importance of second-order piezoelectric effects in zincblende semiconductors
Gabriel Bester, Xifan Wu, David Vanderbilt +1
We show that the piezoelectric effect that describes the emergence of an electric field in response to a crystal deformation in III-V semiconductors such as GaAs and InAs has stron…
Metric Tensor Formulation of Strain in Density-Functional Perturbation Theory
D. R. Hamann, Xifan Wu, Karin M. Rabe +1
The direct calculation of the elastic and piezoelectric tensors of solids can be accomplished by treating homogeneous strain within the framework of density-functional perturbation…