Strong second harmonic generation in two-dimensional ferroelectric IV-monochalcogenides

Raj Panday, Suman; Fregoso, Benjamin M.

doi:10.1088/1361-648X/aa8bfc

Strong second harmonic generation in two-dimensional ferroelectric IV-monochalcogenides

Journal Article · Fri Sep 08 00:00:00 EDT 2017 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/1361-648X/aa8bfc· OSTI ID:1523431

Raj Panday, Suman ^[1]; ^[1]

Kent State Univ., Kent, OH (United States). Dept. of Physics

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 $$10~{\rm nm}~{\rm V}^{-1}$$ 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.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1523431

Alternate ID(s):: OSTI ID: 22867673

Journal Information:: Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 43 Vol. 29; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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