Many-body quantum Monte Carlo study of 2D materials: cohesion and band gap in single-layer phosphorene

Tobias Frank, Rene Derian, Kamil Tokar +3

Quantum Monte Carlo (QMC) is applied to obtain the fundamental (quasiparticle) electronic band gap, ${\Delta }_f$, of a semiconducting two-dimensional (2D) phosphorene whose optical and el…