475 citations · 2.5k across the 26 of their papers we have counts for
5 papers · 1 filter
Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially-strained orthorhombic LaMnO
Jun Hee Lee, Kris T. Delaney, Eric Bousquet +2
First-principles calculations reveal a large cooperative coupling of Jahn-Teller (JT) distortion to oxygen-octahedron rotations in perovskite LaMnO. The combination of the two…
Landau theory of topological defects in multiferroic hexagonal manganites
Sergey Artyukhin, Kris T. Delaney, Nicola A. Spaldin +1
Topological defects in ordered states with spontaneously broken symmetry often have unusual physical properties, such as fractional electric charge or a quantised magnetic field-fl…
Anisotropic conductance at improper ferroelectric domain walls
Dennis Meier, Jan Seidel, Andres Cano +6
Transition metal oxides hold great potential for the development of new device paradigms because of the field-tunable functionalities driven by their strong electronic correlations…
Electrical conductivity of high-pressure liquid hydrogen by quantum Monte Carlo methods
Fei Lin, Miguel A. Morales, Kris T. Delaney +3
We compute the electrical conductivity for liquid hydrogen at high pressure using quantum Monte Carlo. The method uses Coupled Electron-Ion Monte Carlo to generate configurations o…
Multiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals
Leonid V. Pourovskii, Kris T. Delaney, Chris G. Van de Walle +2
We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the ess…