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Theoretical Study of New Acceptor and Donor Molecules based on Polycyclic Aromatic Hydrocarbons
S. Shahab Naghavi, Thomas Gruhn, Vajiheh Alijani +9
Functionalized polcyclic aromatic hydrocarbons (PAHs) are an interesting class of molecules in which the electronic state of the graphene-like hydrocarbon part is tuned by the func…
The role of correlations in the high-pressure phase of FeSe
S. Shahab Naghavi, Stanislav Chadov, Claudia Felser
We present a systematic study of the high-pressure FeSe phase performed by means of the first-principle electronic structure calculations. Basing on available experimental informat…
Electronic structure of fully epitaxial Co2TiSn thin films
Markus Meinert, Jan-Michael Schmalhorst, Hendrik Wulfmeier +4
In this article we report on the properties of thin films of the full Heusler compound Co2TiSn prepared by DC magnetron co-sputtering. Fully epitaxial, stoichiometric films were ob…
Topological Insulators in Ternary Compounds with a Honeycomb Lattice
Hai-Jun Zhang, Stanislav Chadov, Lukas Müchler +5
One of the most exciting subjects in solid state physics is a single layer of graphite which exhibits a variety of unconventional novel properties. The key feature of its electroni…
Density of Phonon States in Superconducting FeSe as a Function of Temperature and Pressure
V. Ksenofontov, G. Wortmann, A. I. Chumakov +5
The temperature and pressure dependence of the partial density of phonon states of iron atoms in superconducting Fe1.01Se was studied by 57Fe nuclear inelastic scattering (NIS). Th…
Indium-Gallium Segregation in CuInGaSe: An ab initio based Monte Carlo Study
Christian D. R. Ludwig, Thomas Gruhn, Claudia Felser +3
Thin-film solar cells with CuInGaSe (CIGS) absorber are still far below their efficiency limit, although lab cells reach already 19.9%. One important aspect is the…