Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures

Lee, Jaekwang; Huang, Jingsong; Sumpter, Bobby G.; Yoon, Mina

doi:10.1088/2053-1583/aa5542

Title: Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures

Journal Article · Fri Feb 17 00:00:00 EST 2017 · 2D Materials

DOI:https://doi.org/10.1088/2053-1583/aa5542· OSTI ID:1346620

Lee, Jaekwang ^[1]; Huang, Jingsong ^[2]; Sumpter, Bobby G. ^[2]; Yoon, Mina ^[3]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences; Pusan National Univ., Busan (Korea, Republic of). Dept. of Physics
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences. Computer Science and Mathematics Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy

Compared with their bulk counterparts, 2D materials can sustain much higher elastic strain at which optical quantities such as bandgaps and absorption spectra governing optoelectronic device performance can be modified with relative ease. Using first-principles density functional theory and quasiparticle GW calculations, we demonstrate how uniaxial tensile strain can be utilized to optimize the electronic and optical properties of transition metal dichalcogenide lateral (in-plane) heterostructures such as MoX₂/WX₂ (X = S, Se, Te). We find that these lateral-type heterostructures may facilitate efficient electron–hole separation for light detection/harvesting and preserve their type II characteristic up to 12% of uniaxial strain. Based on the strain-dependent bandgap and band offset, we show that uniaxial tensile strain can significantly increase the power conversion efficiency of these lateral heterostructures. Our results suggest that these strain-engineered lateral heterostructures are promising for optimizing optoelectronic device performance by selectively tuning the energetics of the bandgap.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC); USDOE Laboratory Directed Research and Development (LDRD) Program

Contributing Organization:: Pusan National Univ., Busan (Korea, Republic of); Univ. of Tennessee, Knoxville, TN (United States)

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231

OSTI ID:: 1346620

Journal Information:: 2D Materials, Vol. 4, Issue 2; ISSN 2053-1583

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 79 works

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