11 papers · 1 filter
Twin-boundary-induced nonrelativistic spin splitting
Kristoffer Eggestad, Marc Vila, Sverre M. Selbach +1
Nonrelativistic spin splitting (NRSS) in compensated magnetic materials is drawing considerable attention due to its potential impact in next-generation spintronic devices. While N…
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, Ãystein Gullbrekken +2
Simulating finite temperature phase transitions from first-principles is computationally challenging. Recently, molecular dynamics (MD) simulations using machine-learned force fiel…
Anisotropic-Strain Control of The Magnetic Structure in Mn\textsubscript{3}GaN
Roman Malyshev, Ingeborg-Helene Svenum, Sverre M. Selbach +1
A first principles study is conducted to explore the changes in the magnetic structure of Mn\textsubscript{3}GaN under anisotropic biaxial strain. Mn\textsubscript{3}GaN is an anti…
Hybrid antiferroelectric-ferroelectric domain walls in noncollinear antipolar oxides
Ivan N. Ushakov, Mats Topstad, Muhammad Z. Khalid +15
Antiferroelectrics are emerging as advanced functional materials and are fertile ground for unusual electric effects. For example, they enhance the recoverable energy density in en…