most citedCovalency-driven collapse of strong spin-orbit coupling in face-sharing iridium octahedra

28 citations · 47 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.str-el2018★ 28 cited

Covalency-driven collapse of strong spin-orbit coupling in face-sharing iridium octahedra

Mai Ye, Heung-Sik Kim, Jae-Wook Kim +5

We report density functional theory calculation and Raman scattering results to explore the electronic structure of BaCuIrO single crystals. Thi…

cond-mat.mtrl-sci2006★ 19 cited

First-Principles Perturbative Computation of Phonon Properties of Insulators in Finite Electric Fields

Xinjie Wang, David Vanderbilt

We present a perturbative method for calculating phonon properties of an insulator in the presence of a finite electric field. The starting point is a variational total-energy func…