115 citations · 274 across the 6 of their papers we have counts for
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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…
Phonon anharmonicity and negative thermal expansion in SnSe
Dipanshu Bansal, Jiawang Hong, Chen W. Li +5
The anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering…
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…