29 citations · 33 across the 3 of their papers we have counts for
3 papers
Electronic reconstruction and charge transfer in strained SrCoIrO double perovskite
Jiongyao Wu, Marcel Ney, Sebastian Esser +5
The electronic, magnetic and optical properties of the double perovskite SrCoIrO (SCIO) under biaxial strain are explored in the framework of density functional theory (DFT…
Theoretical description of optical and X-ray absorption spectra of MgO including many-body effects
Vijaya Begum, Markus E. Gruner, Christian Vorwerk +2
Here we report the optical and x-ray absorption (XAS) spectra of the wide-band-gap oxide MgO using density functional theory (DFT) and many-body perturbation theory (MBPT). Our com…
Role of the exchange-correlation functional on the structural, electronic and optical properties of cubic and tetragonal SrTiO including many-body effects
Vijaya Begum, Markus Ernst Gruner, Rossitza Pentcheva
SrTiO is a model perovskite compound with unique properties and technological relevance. At 105 K it undergoes a transition from a cubic to a tetragonal phase with characterist…