Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 29, Issue 43, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/1361-648X/aa8bfc
Keywords
second harmonic generation; shift current; two-dimensional ferroelectric
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Funding
- NERSC [DE-AC02-05CH11231]
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The two-dimensional ferroelectrics GeS, GeSe, SnS and SnSe are expected to have large spontaneous in-plane electric polarization and enhanced shift-current response. Using density functional methods, we show that these materials also exhibit the largest effective second harmonic generation reported so far. It can reach magnitudes up to 10 nm V-1 which is about an order of magnitude larger than that of prototypical GaAs. To rationalize this result we model the optical response with a simple one-dimensional two-band model along the spontaneous polarization direction. Within this model the second-harmonic generation tensor is proportional to the shift-current response tensor. The large shift current and second harmonic responses of GeS, GeSe, SnS and SnSe make them promising non-linear materials for optoelectronic applications.
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