35 citations · 59 across the 5 of their papers we have counts for
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Bulk and surface electronic structure of BiTe from calculations and photoemission experiments
Dmitrii Nabok, Murat Tas, Shotaro Kusaka +6
We present a combined theoretical and experimental study of the electronic structure of stoichiometric BiTe, a natural superlattice of alternating BiTe quintuple la…
Electronic structure of (organic-)inorganic metal halide perovskites: the dilemma of choosing the right functional
Cecilia Vona, Dmitrii Nabok, Claudia Draxl
Organic-inorganic metal halide perovskites (HaPs) are intensively studied for their light-harvesting properties. Owing to the interplay between strong electron-electron interaction…
Fingerprints of optical absorption in the perovskite LaInO: Insight from many-body theory and experiment
Wahib Aggoune, Klaus Irmscher, Dmitrii Nabok +5
We provide a combined theoretical and experimental study of the electronic structure and the optical absorption edge of the orthorhombic perovskite LaInO. Employing density-f…
Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures
Wahib Aggoune, Caterina Cocchi, Dmitrii Nabok +3
The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations.…
Energy-level alignment at organic/inorganic interfaces from first principles: Example of poly(\emph{para}-phenylene) / rock-salt ZnO(100)
Dmitrii Nabok, Benjamin Höffling, Claudia Draxl
By means of full-potential all-electron density-functional theory and many-body perturbation theory, we compute the band alignment at a prototypical hybrid inorganic/organic interf…
Polaron-induced band renormalization due to linear and quadratic electron-phonon coupling
Pablo García Risueño, Dmitrii Nabok, Qiang Fu +1
We present a novel approach to electron-lattice interaction beyond the linear-coupling regime. Based on the solution of a Holstein-Peierls-type model, we derive explicit analytical…