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.
Original language | English |
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Article number | 035431 |
Journal | Physical Review B |
Volume | 97 |
Issue number | 3 |
Number of pages | 9 |
ISSN | 2469-9950 |
DOIs | |
Publication status | Published - 22 Jan 2018 |