127 citations · 627 across the 16 of their papers we have counts for
16 papers
Competing phases and domain structures of ferroelectric perovskites: the benefit of epitaxial (110) growth
Lan-Tien Hsu, Takeshi Nishimatsu, Anna Grünebohm
Strain and domain engineering offer powerful routes to control phase and domain stability in ferroelectric thin films. While most studies have focused on (100)-oriented growth, the…
Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO 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 sites in (BaSr)TiO on its ferroel…
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…
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…
Elastocaloric response of PbTiO3 predicted from a first-principles effective Hamiltonian
Jordan A. Barr, Scott P. Beckman, Takeshi Nishimatsu
A first-principles based effective Hamiltonian is used within a molecular dynamics simulation to study the elastocaloric effect in PbTiO3. It is found that the transition temperatu…
Direct molecular dynamics simulation of electrocaloric effect in BaTiO3
Takeshi Nishimatsu, Jordan A. Barr, Scott P. Beckman
The electrocaloric effect (ECE) in BaTiO3 is simulated using two different first-principles based effective Hamiltonian molecular dynamics methods. The calculations are performed f…