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Bond disproportionation, charge self-regulation and ligand holes in s-p and in d electron ABX3 perovskites by density functional theory
Gustavo Martini Dalpian, Qihang Liu, Julien Varignon +2
Some ABX3 perovskites exhibit different local environments (DLE) for the same B atoms in the lattice, an effect referred to as disproportionation, distinguishing such compounds fro…
Switchable and tunable Rashba-type spin splitting in covalent perovskite oxides
Julien Varignon, Jacobo Santamaria, Manuel Bibes
In transition metal perovskites (ABO3) most physical properties are tunable by structural parameters such as the rotation of the BO6 octahedra. Examples include the Néel temperatur…
Full field electron spectromicroscopy applied to ferroelectric materials
N. Barrett, J. E. Rault, J. L. Wang +15
The application of PhotoEmission Electron Microscopy (PEEM) and Low Energy Electron Microscopy (LEEM) techniques to the study of the electronic and chemical structure of ferroelect…
Energetics of oxygen-octahedra rotations in perovskite oxides from first principles
Peng Chen, Mathieu N. Grisolia, Hong Jian Zhao +5
We use first-principles methods to study oxygen-octahedra rotations in ABO3 perovskite oxides. We focus on the short-period, perfectly antiphase or in-phase, tilt patterns that cha…