85 citations · 119 across the 6 of their papers we have counts for
6 papers
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…
Coupled electromigration-nanoindentation study on dislocation nucleation in SrTiO3
Chukwudalu Okafor, Ahmad Sayyadi-Shahraki, Sebastian Bruns +5
Modern functional oxides are mainly engineered by doping, essentially by tuning the defect chemistry. Recent studies suggest that dislocations offer a new perspective for enhancing…
Dislocations and plasticity of KTaO perovskite modeled with a new interatomic potential
Pierre Hirel, Franck Junior Kakdeu Yewou, Jiawen Zhang +3
Potassium tantalate KTaO3 is a cubic, paraelectric perovskite ceramic that exhibits surprising ductility at room temperature as most recently reported. Much like strontium titanate…
Pinning of domain walls by strontium layer in BaTiO3 perovskite: an atomic-scale study
Aris Dimou, Pierre Hirel, Anna Grünebohm
We use atomistic simulations to study the interactions between two-dimensional domain walls and Sr inclusions in the prototypical ferroelectric BaTiO. Based on nudged elastic b…
Effects of sublattice symmetry and frustration on ionic transport in garnet solid electrolytes
Boris Kozinsky, Sneha A. Akhade, Pierre Hirel +5
We use rigorous group-theoretic techniques and molecular dynamics to investigate the connection between structural symmetry and ionic conductivity in the garnet family of solid Li-…
Effects of temperature and surface step on the incipient plasticity in strained aluminium studied by atomistic simulations
Pierre Hirel, Sandrine Brochard, Laurent Pizzagalli +1
Atomistic simulations using an EAM potential are carried out to investigate the first stages of plasticity in aluminum slabs, in particular the effect of both temperature and step…