57 citations · 81 across the 3 of their papers we have counts for
3 papers · 1 filter
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…
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…
First-principles study of the influence of (110) strain on the ferroelectric trends of TiO
Anna Grünebohm, Mario Siewert, Peter Entel +1
We investigate the impact of uniaxial strain on atomic shifts, dipolar interactions, polarization and electric permittivity in TiO (rutile) by using two different implementatio…