141 citations · 1.1k across the 40 of their papers we have counts for
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Modelling the dynamics of the martensitic transformation in NiMnGa with machine-learning force-fields
Markus E. Gruner, Yulia Klunnikova, Mike J. Bruckhoff +2
The martensitic transformations in stoichiometric NiMnGa and related Heusler alloys are governed by a delicate interplay between electronic structure, magnetism, and lattice dy…
Disentangling the dynamics of transient spin and orbital magnetization in SrTiO via the inverse Faraday effect from RT-TDDFT
Andri Darmawan, Markus E. Gruner, Rossitza Pentcheva
Motivated by recent evidence of ferroelectricity and even multiferroicity in the prototypical diamagnetic band insulator SrTiO from terahertz experiments, we investigate the ca…
Sub-nanosecond structural dynamics of the martensitic transformation in Ni-Mn-Ga
Yuru Ge, Fabian Ganss, Daniel Schmidt +9
Martensitic transformations drive a multitude of emerging applications, which range from high stroke actuation and, mechanocaloric refrigeration, to thermoelastic energy harvesting…
Spatio-Temporal Electron Propagation Dynamics in Au/Fe/MgO(001) in nonequilibrium: Revealing Single Scattering Events and the Ballistic Limit
Markus Heckschen, Yasin Beyazit, Elaheh Shomali +9
Understanding the microscopic spatio-temporal dynamics of nonequilibrium charge carriers in heterosystems promises optimization of process and device design towards desired energy…
The Premartensite and Martensite in Fe50Rh50 System
Esmaeil Adabifiroozjaei, Fernando Maccari, Lukas Schaefer +19
Metallic/intermetalic materials with BCC structures hold an intrinsic instability due to phonon softening along [110] dirrection, causing BCC to lower-symmetry phases transformatio…
Local magnetic and geometric structure in Mn-doped La(Fe,Si)13
Benedikt Eggert, Johanna Lill, Damian Günzing +11
Magnetic cooling has the potential to replace conventional gas compression refrigeration. Materials such as La(Fe,Si) exhibit a sizeable first-order magnetocaloric effect, a…
Annealing time, temperature, and field dependence of pinned magnetic moments in the collinear antiferromagnet PdMn
Nicolas Josten, Olga Miroshkina, Mehmet Acet +2
Magnetic annealing of the collinear antiferromagnet PdMn with excess Pd produces strongly pinned magnetic moments in the annealing field direction. This behaviour can be understood…
A multi-stage, first-order phase transition in LaFe11.8Si1.2: interplay between the structural, magnetic and electronic degrees of freedom
K. P. Skokov, A. Y. Karpenkov, D. Y. Karpenkov +11
Alloys with a first-order magnetic transition are central to solid-state refrigeration technology, sensors and actuators, or spintronic devices. The discontinuous nature of the tra…
Emergence of net magnetization by magnetic-field-biased diffusion in antiferromagnetic L1 NiMn
Nicolas Josten, Olga Miroshkina, Sakia Noorzayee +6
NiMn is a collinear antiferromagnet with high magneto crystalline anisotropy (). Through magnetic annealing of NiMn with excess Ni, strongly pi…
Dissipation losses limiting first-order phase transition materials in cryogenic caloric cooling: A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloys
Benedikt Beckmann, David Koch, Lukas Pfeuffer +11
Ni-Mn-based Heusler alloys, in particular all-d-metal Ni(-Co)-Mn-Ti, are highly promising materials for energy-efficient solid-state refrigeration as large multicaloric effects can…
Anisotropic carrier dynamics in a laser-excited Fe/(MgO)(001) heterostructure from real-time time-dependent DFT
Elaheh Shomali, Markus E. Gruner, Rossitza Pentcheva
The interaction of a femtosecond optical pulse with a Fe/(MgO)(001) metal/oxide heterostructure is investigated using time-dependent density functional theory (TDDFT) c…
Effective decoupling of ferromagnetic sublattices by frustration in Heusler alloys
F. Cugini, S. Chicco, F. Orlandi +10
Magnetic frustration in ferromagnetic metallic systems is unusual due to the long-range and symmetric nature of the exchange interactions. In this work we prove that it is possible…
Impact of local arrangement of Fe and Ni on the phase stability and magnetocrystalline anisotropy in Fe-Ni-Al Heusler alloys
Vladimir V. Sokolovskiy, Olga N. Miroshkina, Vasiliy D. Buchelnikov +1
On the basis of density functional calculations, we report on a comprehensive study of the influences of atomic arrangement and Ni substitution for Al on the ground state structura…
Impact of local arrangement of Fe and Ni in Fe-Ni-Al Heusler alloys on the phase stability and magnetocrystalline anisotropy
Vladimir V. Sokolovskiy, Olga N. Miroshkina, Vasiliy D. Buchelnikov +1
On the basis of the density functional calculations in combination with the supercell approach, we report on a complete study of the influences of atomic arrangement and Ni substit…
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…
Effect of lattice excitations on transient near edge X-ray absorption spectroscopy
N. Rothenbach, M. E. Gruner, K. Ollefs +17
Time-dependent and constituent-specific spectral changes in soft near edge X-ray spectroscopy (XAS) of an [Fe/MgO] metal/insulator heterostructure upon laser excitation are ana…
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…
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…
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…
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…
Moment-volume coupling in La(FeSi)
M. E. Gruner, W. Keune, J. Landers +8
We investigate the origin of the volume change and magnetoelastic interaction observed at the magnetic first-order transition in the magnetocaloric system La(FeSi)$_{13…
Interplay of phase sequence and electronic structure in the modulated martensites of MnNiGa from first-principles
Ashis Kundu, Markus E. Gruner, Mario Siewert +3
We investigate relative stability, structural properties and electronic structure of various modulated martensites of the magnetic shape memory alloy MnNiGa by means of densi…
Modulations in martensitic Heusler alloys originate from nanotwin ordering
Markus E. Gruner, Robert Niemann, Peter Entel +4
Heusler alloys exhibiting magnetic and martensitic transitions enable applications like magnetocaloric refrigeration and actuation based on the magnetic shape memory effect. Their…
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…