The Energy Band Structure of Black Phosphorus and Angle-Resolved Ultraviolet Photoelectron Spectra

Abstract

The energy band structure of black phosphorus is recalculated using the ab initio norm-conserving pseudopotential calculation. The results show better agreement with the experiment of angle-resolved ultraviolet photoelectron spectroscopy than a previous band structure calculation, based on the pseudopotential of the Appelbaum-Hamann type.