141 citations · 750 across the 24 of their papers we have counts for
24 papers
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…
The effect of hydrostatic pressure and uniaxial strain on the electronic structure of PbSnTe
Matthias Geilhufe, Sanjeev K. Nayak, Stefan Thomas +5
The electronic structure of PbSnTe is studied by using the relativistic Korringa-Kohn-Rostoker Green function method in the framework of density functional theory. Fo…
First principles-based calculation of the electrocaloric effect in BaTiO: comparison between direct and indirect methods
Madhura Marathe, Anna Grünebohm, Takeshi Nishimatsu +2
We use molecular dynamics simulations for a first principles-based effective Hamiltonian to calculate two important quantities characterizing the electrocaloric effect in BaTiO…
Editorial Comment on the Special Issue of "Information in Dynamical Systems and Complex Systems"
Erik M. Bollt, Jie Sun
This special issue collects contributions from the participants of the "Information in Dynamical Systems and Complex Systems" workshop, which cover a wide range of important proble…
Electronic, magnetic and transport properties of full and half-metallic thin film Heusler alloys
Denis Comtesse, Benjamin Geisler, Peter Entel +2
The electronic and magnetic bulk properties of half-metallic Heusler alloys such as CoFeSi, CoFeAl, CoMnSi and CoMnAl are investigated by means of {\em ab i…