Variability of structural and electronic properties of bulk and monolayer Si2Te3

Shen, X.; Puzyrev, Y. S.; Combs, C.; Pantelides, S. T.

doi:10.1063/1.4962826

Title: Variability of structural and electronic properties of bulk and monolayer Si₂Te₃

Journal Article · Tue Sep 13 00:00:00 EDT 2016 · Applied Physics Letters

DOI: https://doi.org/10.1063/1.4962826 · OSTI ID:1468929

Shen, X. ^[1]; Puzyrev, Y. S. ^[2]; Combs, C. ^[2]; Pantelides, S. T. ^[3]

Vanderbilt Univ., Nashville, TN (United States). Dept. of Physics and Astronomy; Univ. of Memphis, Memphis, TN (United States). Dept. of Physics and Materials Science; Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA
Vanderbilt Univ., Nashville, TN (United States). Dept. of Physics and Astronomy
Vanderbilt Univ., Nashville, TN (United States). Dept. of Physics and Astronomy; Vanderbilt Univ., Nashville, TN (United States). Dept. of Electrical Engineering and Computer Science

Silicon telluride has diverse properties for potential applications in Si-based devices ranging from fully integrated thermoelectrics to optoelectronics to chemical sensors. This material has a unique layered structure: it has a hexagonal closed-packed Te sublattice, with Si dimers occupying octahedral intercalation sites. Here, we report a theoretical study of this material in both bulk and monolayer form, unveiling an array of diverse properties arising from reorientations of the silicon dimers between planes of Te atoms. The band gap varies up to 30% depending on dimer orientations. The variation of dimer orientations gives rise to thermal contraction, arising from more dimers aligning out of the plane as the material is heated. Here, strain also affects the dimer orientations and provides a degree of control of the materials properties, making Si₂Te₃ a promising candidate for nanoscale mechanical, optical, and memristive devices.

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Research Organization:: Vanderbilt Univ., Nashville, TN (United States). Dept. of Physics and Astronomy

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: FG02-09ER46554

OSTI ID:: 1468929

Journal Information:: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 11 Vol. 109; ISSN APPLAB; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Morphology control of Si2Te3 nanostructures synthesized by CVD Wu, Keyue; Cui, Jingbiao Journal of Materials Science: Materials in Electronics, Vol. 29, Issue 18 https://doi.org/10.1007/s10854-018-9158-1	journal	April 2018
Chalcogen-atom transfer and exchange reactions of NHC-stabilized heavier silaacylium ions Sarkar, Debotra; Wendel, Daniel; Ahmad, Syed Usman Dalton Transactions, Vol. 46, Issue 46 https://doi.org/10.1039/c7dt03998k	journal	January 2017
High n-type and p-type thermoelectric performance of two-dimensional SiTe at high temperature Wang, Qian; Quhe, Ruge; Guan, Zixuan RSC Advances, Vol. 8, Issue 38 https://doi.org/10.1039/c8ra02270d	journal	January 2018
Au-Assisted catalytic growth of Si ₂ Te ₃ plates Kwak, Junghyeok; Thiyagarajan, Kaliannan; Giri, Anupam Journal of Materials Chemistry C, Vol. 7, Issue 34 https://doi.org/10.1039/c9tc03769a	journal	January 2019
Structure and photoluminescence study of silicon based two-dimensional Si ₂ Te ₃ nanostructures Wu, Keyue; Sun, Weiwei; Jiang, Yan Journal of Applied Physics, Vol. 122, Issue 7 https://doi.org/10.1063/1.4998811	journal	August 2017
Probing the dynamics of photoexcited carriers in Si ₂ Te ₃ nanowires Chen, Jiyang; Wu, Keyue; Shen, Xiao Journal of Applied Physics, Vol. 125, Issue 2 https://doi.org/10.1063/1.5053932	journal	January 2019
Resistive switching in Si ₂ Te ₃ nanowires Wu, Keyue; Chen, Jiyang; Shen, Xiao AIP Advances, Vol. 8, Issue 12 https://doi.org/10.1063/1.5060675	journal	December 2018
Ultra-high mechanical flexibility of 2D silicon telluride Bhattarai, Romakanta; Shen, Xiao Applied Physics Letters, Vol. 116, Issue 2 https://doi.org/10.1063/1.5120533	journal	January 2020

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