Design principles for shift current photovoltaics

Cook, Ashley M.; M. Fregoso, Benjamin; de Juan, Fernando; Coh, Sinisa; Moore, Joel E.

doi:10.1038/ncomms14176

Title: Design principles for shift current photovoltaics

Journal Article · Wed Jan 25 00:00:00 EST 2017 · Nature Communications

DOI:https://doi.org/10.1038/ncomms14176· OSTI ID:1413717

Cook, Ashley M. ^[1]; M. Fregoso, Benjamin ^[2]; de Juan, Fernando ^[2]; Coh, Sinisa ^[3]; Moore, Joel E. ^[4]

Univ. of California, Berkeley, CA (United States). Dept. of Physics; Univ. of Toronto, ON (Canada). Dept. of Physics
Univ. of California, Berkeley, CA (United States). Dept. of Physics
Univ. of California, Riverside, CA (United States). Mechanical Engineering, Materials Science and Engineering; Univ. of California, Berkeley, CA (United States). Dept. of Physics
Univ. of California, Berkeley, CA (United States). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

While the basic principles of conventional solar cells are well understood, little attention has gone towards maximizing the efficiency of photovoltaic devices based on shift currents. Furthermore, by analysing effective models, here we outline simple design principles for the optimization of shift currents for frequencies near the band gap. This method allows us to express the band edge shift current in terms of a few model parameters and to show it depends explicitly on wavefunctions in addition to standard band structure. We use our approach to identify two classes of shift current photovoltaics, ferroelectric polymer films and single-layer orthorhombic monochalcogenides such as GeS, which display the largest band edge responsivities reported so far. Moreover, exploring the parameter space of the tight-binding models that describe them we find photoresponsivities that can exceed 100 mA W ^-1 . Our results illustrate the great potential of shift current photovoltaics to compete with conventional solar cells.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231; DMR-1206515

OSTI ID:: 1413717

Journal Information:: Nature Communications, Vol. 8; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 193 works

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Quantitative relationship between polarization differences and the zone-averaged shift photocurrent Fregoso, Benjamin M.; Morimoto, Takahiro; Moore, Joel E. arXiv https://doi.org/10.48550/arxiv.1701.00172	text	January 2017
Predicted bulk photovoltaic effect in hydrogenated Zintl compounds Brehm, John A. arXiv https://doi.org/10.48550/arxiv.1711.04647	text	January 2017
Spatio-temporal dynamics of shift current quantum pumping by femtosecond light pulse Bajpai, U.; Popescu, B. S.; Plechac, P. arXiv https://doi.org/10.48550/arxiv.1803.04404	text	January 2018
Ab initio calculation of the shift photocurrent by Wannier interpolation Ibañez-Azpiroz, Julen; Tsirkin, Stepan S.; Souza, Ivo arXiv https://doi.org/10.48550/arxiv.1804.04030	text	January 2018
Diagrammatic approach to nonlinear optical response with application to Weyl semimetals Parker, Daniel E.; Morimoto, Takahiro; Orenstein, Joseph arXiv https://doi.org/10.48550/arxiv.1807.09285	text	January 2018
Impact of electrodes on the extraction of shift current from a ferroelectric semiconductor SbSI Nakamura, M.; Hatada, H.; Kaneko, Y. arXiv https://doi.org/10.48550/arxiv.1809.03115	text	January 2018
Systematic investigation of electrical contact barriers between different electrode metals and layered GeSe Li, Ranran; Xia, Wei; Guo, Yanfeng arXiv https://doi.org/10.48550/arxiv.1901.03012	text	January 2019
Non-equilibrium nature of non-linear optical response: Application to the bulk photo voltaic effect Barik, Tamoghna; Sau, Jay D. arXiv https://doi.org/10.48550/arxiv.1908.01793	text	January 2019
Strong bulk photovoltaic effect in chiral crystal in the visible spectrum Zhang, Yang; de Juan, Fernando; Grushin, Adolfo G. arXiv https://doi.org/10.48550/arxiv.1908.08878	text	January 2019
Water splits to degrade two-dimensional group-IV monochalcogenides in nanoseconds Barraza-Lopez, Salvador; Kaloni, Thaneshwor P. arXiv https://doi.org/10.48550/arxiv.1810.02841	text	January 2018
Robust edge photocurrent response on layered Type II Weyl semimetal WTe2 Wang, Qinsheng; Zheng, Jingchuan; He, Yuan arXiv https://doi.org/10.48550/arxiv.1910.04624	text	January 2019
Strong bulk photovoltaic effect and second-harmonic generation in two-dimensional selenium and tellurium Cheng, Meijuan; Zhu, Zi-Zhong; Guo, Guang-Yu arXiv https://doi.org/10.48550/arxiv.2012.01124	text	January 2020

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