252 citations · 570 across the 46 of their papers we have counts for
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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…
Partial Order-Disorder Transition Driving Closure of Band Gap: Example of Thermoelectric Clathrates
Maria Troppenz, Santiago Rigamonti, Jorge O. Sofo +1
On the quest for efficient thermoelectrics, semiconducting behavior is a targeted property. Yet, this is often difficult to achieve due to the complex interplay between electronic…
The role of the interface in controlling the epitaxial relationship between orthorhombic and cubic
Martina Zupancic, Wahib Aggoune, Toni Markurt +5
Epitaxial perovskite oxide interfaces with different symmetry of the epitaxial layers have attracted considerable attention due to the emergence of novel behaviors and phenomena. I…
Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene
Florian Brown-Altvater, Gabriel Antonius, Tonatiuh Rangel +5
Organic molecular crystals are expected to feature appreciable electron-phonon interactions that influence their electronic properties at zero and finite temperature. In this work,…
Influence of Polymorphism on the Electronic Structure of GaO
Jack E. N. Swallow, Christian Vorwerk, Piero Mazzolini +21
The search for new wide band gap materials is intensifying to satisfy the need for more advanced and energy efficient power electronic devices. GaO has emerged as an altern…
MoTe2 as a natural hyperbolic material across the visible and the ultraviolet region
Saeideh Edalati-Boostan, Caterina Cocchi, Claudia Draxl
Hyperbolic materials are of particular interest for the next generation of photonic and optoelectronic devices. Since artificial metamaterials are intrinsically limited by the size…