The first-principles band theory paradigm has been a key player not only in the process of
discovering new classes of topologically interesting materials, but also for identifying salient …

The design of correlated materials challenges researchers to combine the maturing, high
throughput framework of DFT-based materials design with the rapidly-developing first …

The electronic structures of two mixed valence insulators YbB 6 and YbB 12 are studied by
using the local density approximation supplemented with the Gutzwiller method and …

We present a theoretical investigation of the electronic structure of rutile (metallic) and M 1
and M 2 monoclinic (insulating) phases of VO 2 employing a fully self-consistent …

Topological quantum phase transitions are characterized by changes in global topological
invariants. These invariants classify many-body systems beyond the conventional paradigm …

Using inelastic neutron scattering, we map a 14 meV coherent resonant mode in the
topological Kondo insulator SmB 6 and describe its relation to the low energy insulating …

A combination of dynamical mean field theory and density functional theory, as implemented
by Haule [Phys. Rev. B 81, 195107 (2010) PRBMDO 1098-0121 10.1103/PhysRevB …

This chapter discusses key aspects related to the assessment of the environmental impact of
plutonium, such as sources, speciation, and underlying processes important for ecosystem …

We investigate the correlation-induced Mott, magnetic, and topological phase transitions in
artificial (111) bilayers of perovskite transition-metal oxides La Au O 3 and Sr Ir O 3 for which …

Weyl semimetals (WSMs) constitute a 3D phase with linearly dispersing Weyl excitations at
low energy, which lead to unusual electrodynamic responses and open Fermi arcs on …