activity
19962024
most citedDensity-functional theory calculations for poly-atomic systems: Electronic structure, static and elastic properties and ab initio molecular dynamics

666 citations · 1.8k across the 18 of their papers we have counts for

collaborators

18 papers

physics.app-ph2024★ 2 cited

On the experimental properties of the TS defect in 4H-SiC

Johannes A. F. Lehmeyer, Alexander D. Fuchs, Zhengming Li +9

When annealing a 4H silicon carbide (SiC) crystal, a sequence of optically active defect centers occurs among which the TS center is a prominent example. Here, we present low-tempe…

cond-mat.mtrl-sci2022★ 16 cited

Spin-phonon interaction and short range order in

Sanja Djurdjić Mijin, Andrijana Šolajić, Jelena Pešić +6

The vibrational properties of ferrimagnetic single crystals are investigated using Raman spectroscopy and density functional theory calculations. Eighteen…

cond-mat.mtrl-sci2019★ 9 cited

Impact of electron solvation on ice structures at the molecular scale

Cord Bertram, Philipp Auburger, Michel Bockstedte +3

We determine the impact of electron solvation on DO structures adsorbed on Cu(111) with low temperature scanning tunneling microscopy, two-photon photoemission, and ab initio t…

cond-mat.mes-hall2019★ 95 cited

Electrical charge state manipulation of single silicon vacancies in a silicon carbide quantum optoelectronic device

Matthias Widmann, Matthias Niethammer, Dmitry Yu. Fedyanin +14

Colour centres with long-lived spins are established platforms for quantum sensing and quantum information applications. Colour centres exist in different charge states, each of th…

cond-mat.mes-hall2015★ 16 cited

Vibrationally dependent electron-electron interactions in resonant electron transport through single-molecule junctions

Andre Erpenbeck, Rainer Härtle, Michel Bockstedte +1

We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling str…

cond-mat.mes-hall2011★ 214 cited

Coupling of excitons and defect states in boron-nitride nanostructures

C. Attaccalite, M. Bockstedte, A. Marini +2

The signature of defects in the optical spectra of hexagonal boron nitride (BN) is investigated using many body perturbation theory. A single BN-sheet serves as a model for differe…