57 citations · 119 across the 3 of their papers we have counts for
3 papers
Impact of lattice dynamics on the phase stability of metamagnetic FeRh: Bulk and thin films
Michael Wolloch, Markus E. Gruner, Werner Keune +20
We present phonon dispersions, element-resolved vibrational density of states (VDOS) and corresponding thermodynamic properties obtained by a combination of density functional theo…
The electronic and magnetic structure of p-element (C,N) doped rutile-TiO; A hybrid DFT study
Jacqueline Atanelov, Christoph Gruber, Peter Mohn
We study the electronic and magnetic structure of carbon and nitrogen impurities and interstitials in rutile TiO. To this end we perform \textit{ab-initio} calculations of a…
Ab-initio friction forces on the nanoscale: A DFT study of fcc Cu(111)
Michael Wolloch, Gregor Feldbauer, Peter Mohn +2
While there are a number of models that tackle the problem of calculating friction forces on the atomic level, providing a completely parameter-free approach remains a challenge. H…