291 citations · 1.8k across the 32 of their papers we have counts for
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cond-mat.mtrl-sci2011★ 16 cited
Hybrid functional calculations of the Al impurity in silica: Hole localization and electron paramagnetic resonance parameters
Roland Gillen, John Robertson
We performed first-principle calculations based on the supercell and cluster approaches to investigate the neutral Al impurity in smoky quartz. Electron paramagnetic resonance meas…
cond-mat.str-el2011★ 104 cited
Band structure calculations of CuAlO2, CuGaO2, CuInO2 and CuCrO2 by screened exchange
Roland Gillen, John Robertson
We report density functional theory (DFT) band structure calculations on the transparent conducting oxides CuAlO2, CuGaO2, CuInO2 and CuCrO2. The use of the hybrid functional sX-LD…