A. Grünebohm

activity

20092026

most citedFirst principles-based calculation of the electrocaloric effect in BaTiO

_{3}

: comparison between direct and indirect methods

123 citations · 494 across the 24 of their papers we have counts for

collaborators

Showing 2016Show all

2 papers · 1 filter

cond-mat.mtrl-sci2016★ 9 cited

Tuning the caloric response of BaTiO $_{3}$ by tensile epitaxial strain

Anna Grünebohm, Madhura Marathe, Claude Ederer

We investigate the effect of epitaxial strain on the electrocaloric effect (ECE) in BaTiO $_{3}$ by means of ab initio based molecular dynamics simulations. We show that tensile strai…

cond-mat.mtrl-sci2016★ 19 cited

Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO $_{3}$ with a Semi-Empirical Effective Hamiltonian

Takeshi Nishimatsu, Anna Gruenebohm, Umesh V. Waghmare +1

We present a semi-empirical effective Hamiltonian to capture effects of disorder associated with Ba and Sr cations occupying $A$ sites in (Ba $_{x}$ Sr $_{1 - x}$ )TiO $_{3}$ on its ferroel…

Tuning the caloric response of BaTiO3​ by tensile epitaxial strain

Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO3​ with a Semi-Empirical Effective Hamiltonian

Tuning the caloric response of BaTiO $_{3}$ by tensile epitaxial strain

Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO $_{3}$ with a Semi-Empirical Effective Hamiltonian