Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain
Abstract
Two-dimensional boron (borophene) is a promising, newly synthesized monolayer metal with promising electronic and optical properties. Borophene has only been recently synthesized on silver substrates, and displays a variety of crystal structures and substrate-induced strains depending on the growth conditions and surface orientation. Here, we present an extensive first-principles study of the structural and optoelectronic properties of the two proposed structures of borophene, β12 and δ6, under strain. With a density functional theory analysis, we determine that the optical absorbance and electronic band structure are continuously tunable upon application of few percent of strain. Although both structures remain metallic with moderate strains of up to 6% applied, key features of the band structure, as well as the inplane anisotropy of the complex dielectric function and optical absorption, can be significantly modified.
- Authors:
-
[1];
- Boston Univ., MA (United States). Dept. of Electrical and Computer Engineering
- Boston Univ., MA (United States). Dept. of Electrical and Computer Engineering, and Dept. of Physics and Division of Materials Science
- Publication Date:
- Research Org.:
- Boston Univ., MA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1498727
- Alternate Identifier(s):
- OSTI ID: 1603334
- Grant/Contract Number:
- SC0018080; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Omega
- Additional Journal Information:
- Journal Volume: 2; Journal Issue: 11; Journal ID: ISSN 2470-1343
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Adamska, Lyudmyla, and Sharifzadeh, Sahar. Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain. United States: N. p., 2017.
Web. doi:10.1021/acsomega.7b01232.
Adamska, Lyudmyla, & Sharifzadeh, Sahar. Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain. United States. https://doi.org/10.1021/acsomega.7b01232
Adamska, Lyudmyla, and Sharifzadeh, Sahar. Tue .
"Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain". United States. https://doi.org/10.1021/acsomega.7b01232. https://www.osti.gov/servlets/purl/1498727.
@article{osti_1498727,
title = {Fine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain},
author = {Adamska, Lyudmyla and Sharifzadeh, Sahar},
abstractNote = {Two-dimensional boron (borophene) is a promising, newly synthesized monolayer metal with promising electronic and optical properties. Borophene has only been recently synthesized on silver substrates, and displays a variety of crystal structures and substrate-induced strains depending on the growth conditions and surface orientation. Here, we present an extensive first-principles study of the structural and optoelectronic properties of the two proposed structures of borophene, β12 and δ6, under strain. With a density functional theory analysis, we determine that the optical absorbance and electronic band structure are continuously tunable upon application of few percent of strain. Although both structures remain metallic with moderate strains of up to 6% applied, key features of the band structure, as well as the inplane anisotropy of the complex dielectric function and optical absorption, can be significantly modified.},
doi = {10.1021/acsomega.7b01232},
journal = {ACS Omega},
number = 11,
volume = 2,
place = {United States},
year = {Tue Nov 21 00:00:00 EST 2017},
month = {Tue Nov 21 00:00:00 EST 2017}
}
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Figures / Tables:
Figure 1: Atomic structure of the (a) β12 and (b) δ6 borophene allotropes. The unit cell for each is shown by an orange box. The β12 and δ6 phases have five and two boron atoms per unit cell, respectively, with the δ6 phase displaying an out-of-plane rippling of 0.88 Å,more »
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New boron based nanostructured materials
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Phonon-mediated superconductivity in borophenes
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Works referencing / citing this record:
Strain controlled electronic and transport anisotropies in two-dimensional borophene sheets
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Observation of a Dirac state in borophene hetero-bilayers by Cr intercalation
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The effect of strain and functionalization on the optical properties of borophene
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