Optical third harmonic generation in black phosphorus

Fábio Hipólito, Thomas Garm Pedersen

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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 languageEnglish
Article number035431
JournalPhysical Review B
Issue number3
Number of pages9
Publication statusPublished - 22 Jan 2018

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