99 citations · 216 across the 6 of their papers we have counts for
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Epitaxial strain adaption in chemically disordered FeRh thin films
Ralf Witte, Robert Kruk, Di Wang +5
Strain and strain adaption mechanisms in modern functional materials are of crucial importance for their performance. Understanding these mechanisms will advance innovative approac…
Dynamics of optical excitations in a Fe/MgO(001) heterostructure from time-dependent density functional theory
Markus Ernst Gruner, Rossitza Pentcheva
In the framework of real-time time-dependent density functional theory (RT-TDDFT) we unravel the layer-resolved dynamics of the electronic structure of a (Fe)/(MgO)(001) mu…
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…
Element-resolved thermodynamics of magnetocaloric LaFeSi
M. E. Gruner, W. Keune, B. Roldan Cuenya +10
By combination of two independent approaches, nuclear resonant inelastic X-ray scattering and first-principles calculations in the framework of density functional theory, we determ…