265 citations · 520 across the 8 of their papers we have counts for
7 papers · 1 filter
Zn vacancy-donor impurity complexes in ZnO
Y. K. Frodason, K. M. Johansen, T. S. Bjørheim +2
Results from hybrid density functional theory calculations on the thermodynamic stability and optical properties of the Zn vacancy () complexed with common donor imp…
Boron-doping of cubic SiC for intermediate band solar cells: a scanning transmission electron microscopy study
Patricia Almeida Carvalho, Annett Thørgesen, Quanbao Ma +9
Boron (B) has the potential for generating an intermediate band in cubic silicon carbide (3C-SiC), turning this material into a highly efficient absorber for single-junction solar…
Large-scale electronic structure calculations of vacancies in 4H-SiC using the Heyd-Scuseria-Ernzerhof screened hybrid density functional
Tamas Hornos, Adam Gali, Bengt G. Svensson
Large-scale and gap error free calculations of the electronic structure of vacancies in 4H-SiC have been carried out using a hybrid density functional (HSE06) and an accurate charg…
Comparison of near-interface traps in AlO/4H-SiC and AlO/SiO/4H-SiC structures
Marc Avice, Ulrike Grossner, Ioana Pintilie +3
Aluminum oxide (Al2O3) has been grown by atomic layer deposition on n-type 4H-SiC with and without a thin silicon dioxide (SiO2) intermediate layer. By means of Capacitance Voltage…
Coulomb correlation effects in zinc monochalcogenides
S. Zh. Karazhanov, P. Ravindran, U. Grossner +3
Electronic structure and band characteristics for zinc monochalcogenides with zinc-blende- and wurtzite-type structures are studied by first-principles density-functional-theory ca…
Electronic structure and band parameters for ZnX (X = O, S, Se, Te)
S. Zh. Karazhanov, P. Ravindran, U. Grossner +3
First-principles density-functional calculations have been performed for zinc monochalcogenides with zinc-blende- and wurtzite-type structures. It is shown that the local-density a…