57 citations · 154 across the 10 of their papers we have counts for
16 papers · 1 filter
Substitutional tin acceptor states in black phosphorus
Mark Wentink, Julian Gaberle, Martik Aghajanian +6
Nominally-pure black phosphorus (BP) is commonly found to be a p-type semiconductor, suggesting the ubiquitious presence of impurity species or intrinsic, charged defects. Moreover…
Layer-Resolved Many-Electron Interactions in Delafossite PdCoO2 from Standing-Wave Photoemission Spectroscopy
Qiyang Lu, Henrique Martins, J. Matthias Kahk +7
When a three-dimensional material is constructed by stacking different two-dimensional layers into an ordered structure, new and unique physical properties can emerge. An example i…
Core Electron Binding Energies in Solids from Periodic All-Electron -Self-Consistent-Field Calculations
Juhan Matthias Kahk, Georg S. Michelitsch, Reinhard J. Maurer +2
Theoretical calculations of core electron binding energies are important for aiding the interpretation of experimental core level photoelectron spectra. In previous work, the -S…
Light Induced Charge Transfer from Transition-metal Doped Aluminium Clusters to Carbon Dioxide
Alexandra Göbel, Angel Rubio, Johannes Lischner
Charge transfer between molecules and catalysts plays a critical role in determining the efficiency and yield of photo-chemical catalytic processes. In this paper, we study light-i…
Flat band properties of twisted transition metal dichalcogenide homo- and heterobilayers of MoS, MoSe, WS and WSe
Valerio Vitale, Kemal Atalar, Arash A. Mostofi +1
Twisted bilayers of two-dimensional materials, such as twisted bilayer graphene, often feature flat electronic bands that enable the observation of electron correlation effects. In…
Predicting polarizabilities of silicon clusters using local chemical environments
Mario G. Zauchner, Stefano Dal Forno, Gábor Cśanyi +2
Calculating polarizabilities of large clusters with first-principles techniques is challenging because of the unfavorable scaling of computational cost with cluster size. To addres…