High-temperature Superconductivity in Layered Nitrides β-Li${}_x$MNCl (M = Ti, Zr, Hf): Insights from Density-functional Theory for Superconductors

Ryosuke Akashi, Kazuma Nakamura, Ryotaro Arita +1

We present an ab initio analysis with density functional theory for superconductors (SCDFT) to understand the superconducting mechanism of doped layered nitrides β-Li${}_x$MNCl (M=Ti…