276 citations · 604 across the 6 of their papers we have counts for
4 papers · 1 filter
On the rich magnetic phase diagram of (Ni, Co)-Mn-Sn Heusler alloys
Anna Grünebohm, Heike C. Herper, Peter Entel
We put a spotlight on the exceptional magnetic properties of the metamagnetic Heusler alloy (Ni,Co)-Mn-Sn by means of first principles simulations. In the energy landscape we find…
First-principles calculation of the instability leading to giant inverse magnetocaloric efects
Denis Comtesse, Markus E. Gruner, Vladimir V. Sokolovskiy +10
The structural and magnetic properties of functional Ni-Mn-Z (Z = Ga, In, Sn) Heusler alloys are studied by first-principles and Monte Carlo methods. The \textit{ab initio} calcula…
First-principles investigation of incipient ferroelectric trends of rutile TiO in bulk and at the (110) surface
Anna Grünebohm, Peter Entel, Claude Ederer
The ferroelectric trends of rutile (TiO) in bulk and at the (110) surface are investigated by means of ab initio density functional theory. We discuss the underlying mechanism…
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…