675 citations · 752 across the 3 of their papers we have counts for
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Characterization of the nitrogen split interstitial defect in wurtzite aluminum nitride using density functional theory
A. Szállás, K. Szász, X. T. Trinh +3
We carried out Heyd-Scuseria-Ernzerhof hybrid density functional theory plane wave supercell calculations in wurtzite aluminum nitride in order to characterize the geometry, format…
Coherent control of single spins in silicon carbide at room temperature
Matthias Widmann, Sang-Yun Lee, Torsten Rendler +15
Spins in solids are cornerstone elements of quantum spintronics. Leading contenders such as defects in diamond, or individual phosphorous dopants in silicon have shown spectacular…
Theoretical unification of hybrid-DFT and DFT+U methods for the treatment of localized orbitals
Viktor Ivády, Rickard Armiento, Krisztián Szász +3
We formulate the on-site occupation dependent exchange correlation energy and effective potential of hybrid functionals for localized states and connect them to the on-site correct…