One-dimensional excitons in long phosphorene atomic chains

The electronic structure of phosphorene atomic chains (PACs) embedded in various dielectric environments is studied theoretically by using a configuration interaction approach beyond the conventional double-excitation scheme. While the nominal single-particle gap of the PACs is shown to roughly obey an expected scaling law of L???2, where L measures the length of PACs, the quasiparticle shift is found to gradually converge to a value that is insensitive to the dielectric environment as L increases. In the meantime, exciton binding energies are revealed to obey a simple scaling law of 0.96/(??L) ??? 0.02, with ?? being the effective dielectric constant. As L goes to infinity, the quasiparticle and excitonic effect are both found to be greatly suppressed as if the long-range electron-electron interactions are quenched in long PACs.

Automated summary

The electronic structure of phosphorene atomic chains embedded in different dielectric environments is theoretically studied using a configuration interaction method. It is found that, in addition to the expected scaling law of L², the quasiparticle shift and exciton binding energies follow certain scaling laws, with the former converging to a value independent of the dielectric environment as the length of the atomic chains increases.