M. Marathe

activity

20082022

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

_{3}

: comparison between direct and indirect methods

123 citations · 345 across the 9 of their papers we have counts for

collaborators

Showing 2015Show all

2 papers · 1 filter

cond-mat.mtrl-sci2015★ 27 cited

Ab initio phase diagram of BaTiO $_{3}$ under epitaxial strain revisited

Anna Grünebohm, Madhura Marathe, Claude Ederer

We revisit the phase diagram of BaTiO $_{3}$ under biaxial strain using a first principles-based effective Hamiltonian approach. We show that, in addition to the tetragonal ( $c$ ), qua…

cond-mat.mtrl-sci2015★ 123 cited

First principles-based calculation of the electrocaloric effect in BaTiO $_{3}$ : 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 $_{3}$ …

Ab initio phase diagram of BaTiO3​ under epitaxial strain revisited

First principles-based calculation of the electrocaloric effect in BaTiO3​: comparison between direct and indirect methods

Ab initio phase diagram of BaTiO $_{3}$ under epitaxial strain revisited

First principles-based calculation of the electrocaloric effect in BaTiO $_{3}$ : comparison between direct and indirect methods