Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus
Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus
By performing ab initio calculations for one- to four-layer black phosphorus within the $GW$ approximation, we obtain a significant difference in the band gap ($\ensuremath{\sim}$1.5 eV), which is in line with recent experimental data. The results are analyzed in terms of the constructed four-band tight-binding model, which gives accurate descriptions …