most citedDynamics of optical excitations in a Fe/MgO(001) heterostructure from time-dependent density functional theory

11 citations · 21 across the 4 of their papers we have counts for

collaborators

7 papers

cond-mat.mtrl-sci20194 cited

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…

cond-mat.mtrl-sci2019

Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations

Benedikt Eggert, Markus E. Gruner, Katharina Ollefs +11

We combine Fe Mössbauer spectroscopy and Fe nuclear resonant inelastic x-ray scattering (NRIXS) in nanoscale polycrystalline [bcc-Fe/MgO] multilayers with vari…

cond-mat.str-el2019

Role of the exchange-correlation functional on the structural, electronic and optical properties of cubic and tetragonal SrTiO including many-body effects

Vijaya Begum, Markus Ernst Gruner, Rossitza Pentcheva

SrTiO is a model perovskite compound with unique properties and technological relevance. At 105 K it undergoes a transition from a cubic to a tetragonal phase with characterist…

cond-mat.mtrl-sci20196 cited

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…

cond-mat.mtrl-sci2019

Microscopic non-equilibrium energy transfer dynamics in a photoexcited metal/insulator heterostructure

N. Rothenbach, M. E. Gruner, K. Ollefs +15

The element specificity of soft X-ray spectroscopy makes it an ideal tool for analyzing the microscopic origin of ultrafast dynamics induced by localized optical excitation in meta…

cond-mat.mtrl-sci201911 cited

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…