Ehlen, N., Senkovskiy, B. V., Fedorov, A. V., Peruchhi, A., Di Pietro, P., Sanna, A., Profeta, G., Petaccia, L., Grüneis, A.
Evolution of electronic structure of few-layer phosphorene from angle-resolved photoemission spectroscopy of black phosphorous
Physical Review B 94, (25),pp 255410/1-12 (2016)
A complete set of tight-binding parameters for the description of the quasiparticle dispersion relations of black phosphorous (BP) and N-layer phosphorene with N = 1 ... ∞ is presented. The parameters, which describe valence and conduction bands, are fit to angle-resolved photoemission spectroscopy (ARPES) data of pristine and lithium doped BP. We show that zone-folding of the experimental three-dimensional electronic band structure of BP is a simple and intuitive method to obtain the layer-dependent two-dimensional electronic structure of few-layer phosphorene. Zone folding yields the band gap of N-layer phosphorene in excellent quantitative agreement to experiments and ab initio calculations. A combined analysis of optical absorption and ARPES spectra of pristine and doped BP is used to estimate a value for the exciton binding energy of BP.
TH-2016-47