First-Principles Design of Halide-Reduced Electrides: Magnetism and Topological Phases

no code implementations • 3 Nov 2020 • Tonghua Yu, Motoaki Hirayama, José A. Flores-Livas, Takuya Nomoto, Ryotaro Arita

We propose a design scheme for seeking potential electrides derived from conventional materials.

Materials Science Strongly Correlated Electrons