Abstract
We present a calculation of third harmonic generation (THG) for two-band systems using the length gauge that avoids unphysical divergences otherwise present in the evaluation of the third-order current density response. The calculation is applied to bulk and monolayer black phosphorus (bP) using a nonorthogonal tight-binding model. Results show that the low-energy response is dominated by mixed inter-intraband processes and estimates of the magnitude of THG susceptibility are comparable to recent experimental reports for bulk bP samples.
Originalsprog | Engelsk |
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Artikelnummer | 035431 |
Tidsskrift | Physical Review B |
Vol/bind | 97 |
Udgave nummer | 3 |
Antal sider | 9 |
ISSN | 2469-9950 |
DOI | |
Status | Udgivet - 22 jan. 2018 |