99 citations · 216 across the 6 of their papers we have counts for
6 papers
Influence of hydrogenation on the vibrational density of states of magnetocaloric
Alexandra Terwey, Markus E. Gruner, Werner Keune +14
We report on the impact of magnetoelastic coupling on the magnetocaloric properties of LaFeSiH in terms of the vibrational density of states, which we dete…
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…
Scaling Study and Thermodynamic Properties of the cubic Helimagnet FeGe
H. Wilhelm, A. O. Leonov, U. K. Rößler +7
The critical behavior of the cubic helimagnet FeGe was obtained from isothermal magnetization data in very close vicinity of the ordering temperature. A thorough and consistent sca…
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…