127 citations · 627 across the 16 of their papers we have counts for
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cond-mat.mtrl-sci2015★ 123 cited
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…
cond-mat.mtrl-sci2015★ 66 cited
Influence of defects on ferroelectric and electrocaloric properties of BaTiO
Anna Grünebohm, Takeshi Nishimatsu
We report modifications of the ferroelectric and electrocaloric properties of BaTiO by defects. For this purpose, we have combined \textit{ab initio}-based molecular dynamics s…