Exploring Magnetism of Lead-free Halide Double Perovskites: A High-Throughput First-Principles Study

Utkarsh Singh, Johan Klarbring, Igor A. Abrikosov +1

We have performed a comprehensive, first-principles high-throughput study of the magnetic properties of halide double perovskites, $C{s}_{2}B{B}^{\prime }C{l}_6$, with magnetic ions occupyin…