165 citations · 2k across the 51 of their papers we have counts for
51 papers
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
First-principles Calculations of MoSeTe/WSeTe Bilayers: Stability, Phonons, Electronic Band Offsets, and Rashba Splitting
Hamid Mehdipour, Peter Kratzer
Janus materials have attracted much interest due to their intrinsic electric dipole moment and Rashba band splitting. We show that, by building bilayers of MoSeTe and WSeTe with di…
Quasi-particle propagation across semiconductor-Mott insulator interfaces
Jan Verlage, Friedemann Queisser, Nikodem Szpak +3
As a prototypical example for a heterostructure combining a weakly and a strongly interacting quantum many-body system, we study the interface between a semiconductor and a Mott in…
Dimer Coupling Energies of the Si(001) Surface
Christian Brand, Alfred Hucht, Giriraj Jnawali +6
The coupling energies between the buckled dimers of the Si(001) surface were determined through analysis of the anisotropic critical behavior of its order-disorder phase transition…
Orbital and magnetic ordering in single-layer FePS3: A DFT+U study
Mohammad Amirabbasi, Peter Kratzer
Among the numerous 2D system that can be prepared via exfoliation, iron phosphorus trisulfide (FePS3) attracts a lot of attention recently due to its broad-range photoresponse, its…
Relaxation of photo-excited hot carriers beyond multi-temperature models: General theory description verified by experiments on Pb/Si(111)
Peter Kratzer, Laurenz Rettig, Irina Yu. Sklyadneva +2
The equilibration of electronic carriers in metals after excitation by an ultra-short laser pulse provides an important class of non-equilibrium phenomena in metals and allows meas…