5 papers
Machine-learning-guided exploration of domain walls in the hybrid improper ferroelectric Ca3Ti2O7
Ida C. Skogvoll, Erik Fransson, Leo Ö. Westin +4
Ruddlesden-Popper phases are highly tunable and naturally layered structures, in which polarization can arise via a hybrid improper ferroelectric mechanism. This enables a complex…
Electronic Structure and Resonant Circular Dichroism of LaSrMnO from Soft X-ray Angle-Resolved Photoemission
Øyvind Finnseth, Damian Brzozowski, Anders Christian Mathisen +12
Coupling between spin, orbital, charge, and lattice degrees of freedom in transition-metal oxides produces a variety of electronic and magnetic phenomena of importance for future t…
Local indirect magnetoelectric coupling at twin walls in CaMnO
Ida C. Skogvoll, Benjamin A. D. Williamson, Sverre M. Selbach
Ferroelastic twin walls in centrosymmetric perovskites can host emergent polar and magnetic properties forbidden in the bulk. We use density functional theory calculations to study…
Domain Walls and Defects in Ferroelectric Inorganic Halide Perovskites CsGeX (X = Cl, Br, I)
Kristoffer Eggestad, Benjamin A. D. Williamson, Sverre M. Selbach
Among all-inorganic halide perovskites, the only known ferroelectrics are the family of CsGeX (X = Cl, Br, I). Here, we study their ferroelectric domain walls (DWs) and common…
Finite-Temperature Ferroelectric Phase Transitions from Machine-Learned Force Fields
Kristoffer Eggestad, Ida C. Skogvoll, Øystein Gullbrekken +2
Simulating finite temperature phase transitions from first-principles is computationally challenging. Recently, molecular dynamics (MD) simulations using machine-learned force fiel…