75 citations · 424 across the 18 of their papers we have counts for
5 papers · 1 filter
Adsorption and dissociation of iron phthalocyanine on H/Si(111): Impact of van-der-Waals interactions and perspectives for subsurface doping
Benjamin Geisler, Peter Kratzer
The adsorption of iron phthalocyanine (FePc) on the passivated H/Si(111) surface is explored from first principles. We find that the organic molecule is predominantly physisorbed w…
Inducing - and -type thermoelectricity in oxide superlattices by strain tuning of orbital-selective transport resonances
Benjamin Geisler, Rossitza Pentcheva
By combining first-principles simulations including an on-site Coulomb repulsion term and Boltzmann theory, we demonstrate how the interplay of quantum confinement and epitaxial st…
Spincaloric properties of epitaxial CoMnSi/MgO/CoMnSi magnetic tunnel junctions
Benjamin Geisler, Peter Kratzer
The electronic transport and spincaloric properties of epitaxial magnetic tunnel junctions with half-metallic CoMnSi Heusler electrodes, MgO tunneling barriers, and different i…
Atomic-scale detection of magnetic impurity interactions in bulk semiconductors
Benjamin Geisler, Peter Kratzer
We demonstrate on the basis of ab initio simulations how passivated semiconductor surfaces can be exploited to study bulklike interaction properties and wave functions of magnetic…
Confinement- and strain-induced enhancement of thermoelectric properties in LaNiO/LaAlO superlattices
Benjamin Geisler, Rossitza Pentcheva
By combining ab initio simulations including an on-site Coulomb repulsion term and Boltzmann theory, we explore the thermoelectric properties of (LaNiO)/(LaAlO)(001…