title: Computational design of axion insulators based on 5d spinel compounds.
abstract: Based on density functional calculation using the local density approximation+U method, we predict that osmium compounds such as CaOs(2)O(4) and SrOs(2)O(4) can be stabilized in the geometrically frustrated spinel crystal structure. They show ferromagnetic order in a reasonable range of the on-site Coulomb correlation U and exotic electronic properties, in particular, a large magnetoelectric coupling characteristic of axion electrodynamics. Depending on U, other electronic phases including a 3D Weyl semimetal and Mott insulator are also shown to occur.
authors.affiliation: National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093, China.
authors.forename: Xiangang
authors.initials: X
authors.lastname: Wan
authors.forename: Ashvin
authors.initials: A
authors.lastname: Vishwanath
authors.forename: Sergey Y
authors.initials: SY
authors.lastname: Savrasov