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cond-mat.mtrl-sci2014★ 21 cited
Insights and challenges of applying the method to transition metal oxides
Georgy Samsonidze, Cheol-Hwan Park, Boris Kozinsky
The ab initio method is considered as the most accurate approach for calculating the band gaps of semiconductors and insulators. Yet its application to transition metal oxides…
cond-mat.mtrl-sci2014★ 181 cited
Electron-Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene
Cheol-Hwan Park, Nicola Bonini, Thibault Sohier +5
We present a first-principles study of the temperature- and density-dependent intrinsic electrical resistivity of graphene. We use density-functional theory and density-functional…