3 papers
cond-mat.mtrl-sci2026
Ferroelectric switching at edge dislocations in BaTiO modelled at the atomic scale
Himal Wijekoon, Pierre Hirel, Anna Grünebohm
Ferroelectric switching governs the functional properties of ferroelectric perovskites. It is widely accepted that this switching depends on domain nucleation and pinning and that…
cond-mat.mtrl-sci2025
Efficient local atomic cluster expansion for BaTiO close to equilibrium
Anna Grünebohm, Matous Mrovec, Maxim N. Popov +4
Barium titanate (BTO) is a representative perovskite oxide that undergoes three first-order ferroelectric phase transitions related to exceptional functional properties. In this wo…
cond-mat.mtrl-sci2018
Tailoring the electrocaloric effect by internal bias fields and field protocols
Yang-Bin Ma, Bai-Xiang Xu, Karsten Albe +1
In acceptor doped ferroelectrics and in ferroelectric films and nanocomposites, defect dipoles, strain gradients, and the electric boundary conditions at interfaces and surfaces of…