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Fine-tuning the Optoelectronic Properties of Borophene by Strain

preprint
submitted on 19.09.2017 and posted on 19.09.2017 by Lyudmyla Adamska, Sahar Sharifzadeh

Here, we present an extensive first- principles study of the structural and optoelectronic properties of the two proposed structures of borophene 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. While both structures remain metallic with moderate strains of up to 6%, key features of the band structure, as well as the in-plane anisotropy of the complex dielectric function and optical absorption can be significantly modified.

Funding

DE-AC02-06CH11357, ACI-1548562

History

Topic

  • Photochemistry (Physical Chem.)
  • Quantum Mechanics

Email Address of Submitting Author

milaa@bu.edu

Email Address(es) for Other Author(s)

ssharifz@bu.edu

Institution

Boston University

Country

United States of America

ORCID For Submitting Author

0000-0002-8098-6249

Declaration of Conflict of Interest

No conflict of interests.

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