Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates

Abstract

We investigate novel phases that emerge from the interplay of electron correlations and strong spin-orbit interactions. We focus on describing the topological semimetal, a three-dimensional phase of a magnetic solid, and argue that it may be realized in a class of pyrochlore iridates (such as ${\mathrm{Y}}_{2}$Ir${}_{2}$O${}_{7}$) based on calculations using the $\text{LDA}+U$ method. This state is a three-dimensional analog of graphene with linearly dispersing excitations and provides a condensed-matter realization of Weyl fermions that obeys a two-component Dirac equation. It also exhibits remarkable topological properties manifested by surface states in the form of Fermi arcs, which are impossible to realize in purely two-dimensional band structures. For intermediate correlation strengths, we find this to be the ground state of the pyrochlore iridates, coexisting with noncollinear magnetic order. A narrow window of magnetic ``axion'' insulator may also be present. An applied magnetic field is found to induce a metallic ground state.