Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride
We explain the nature of the electronic energy gap and optical absorption spectrum of carbon–boron-nitride (CBN) monolayers using density functional theory, GW and Bethe-Salpeter calculations. The band structure and the optical absorption are regulated by the C domain size rather than the compositio...
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| Format: | Article |
| Language: | en_US |
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American Physical Society
2012
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| Online Access: | http://hdl.handle.net/1721.1/72379 https://orcid.org/0000-0003-1281-2359 |
| _version_ | 1811091034903412736 |
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| author | Bernardi, Marco Palummo, Maurizia Grossman, Jeffrey C. |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Bernardi, Marco Palummo, Maurizia Grossman, Jeffrey C. |
| author_sort | Bernardi, Marco |
| collection | MIT |
| description | We explain the nature of the electronic energy gap and optical absorption spectrum of carbon–boron-nitride (CBN) monolayers using density functional theory, GW and Bethe-Salpeter calculations. The band structure and the optical absorption are regulated by the C domain size rather than the composition (as customary for bulk semiconductor alloys). The C and BN quasiparticle states lie at separate energy for C and BN, with little mixing for energies near the band edge where states are chiefly C in character. The resulting optical absorption spectra show two distinct peaks whose energy and relative intensity vary with composition in agreement with the experiment. The monolayers present strongly bound excitons localized within the C domains, with binding energies of the order of 0.5–1.5 eV dependent on the C domain size. The optoelectronic properties result from the overall monolayer band structure, and cannot be understood as a superposition of the properties of bulklike C and BN domains. |
| first_indexed | 2024-09-23T14:56:05Z |
| format | Article |
| id | mit-1721.1/72379 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T14:56:05Z |
| publishDate | 2012 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/723792022-09-29T11:30:23Z Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride Bernardi, Marco Palummo, Maurizia Grossman, Jeffrey C. Massachusetts Institute of Technology. Department of Materials Science and Engineering Grossman, Jeffrey C. Bernardi, Marco Grossman, Jeffrey C. We explain the nature of the electronic energy gap and optical absorption spectrum of carbon–boron-nitride (CBN) monolayers using density functional theory, GW and Bethe-Salpeter calculations. The band structure and the optical absorption are regulated by the C domain size rather than the composition (as customary for bulk semiconductor alloys). The C and BN quasiparticle states lie at separate energy for C and BN, with little mixing for energies near the band edge where states are chiefly C in character. The resulting optical absorption spectra show two distinct peaks whose energy and relative intensity vary with composition in agreement with the experiment. The monolayers present strongly bound excitons localized within the C domains, with binding energies of the order of 0.5–1.5 eV dependent on the C domain size. The optoelectronic properties result from the overall monolayer band structure, and cannot be understood as a superposition of the properties of bulklike C and BN domains. 2012-08-28T18:10:18Z 2012-08-28T18:10:18Z 2012-06 2012-02 Article http://purl.org/eprint/type/JournalArticle 0031-9007 1079-7114 http://hdl.handle.net/1721.1/72379 Bernardi, Marco, Maurizia Palummo, and Jeffrey Grossman. “Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride.” Physical Review Letters 108.22 (2012). © 2012 American Physical Society https://orcid.org/0000-0003-1281-2359 en_US http://dx.doi.org/10.1103/PhysRevLett.108.226805 Physical Review Letters Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Physical Society APS |
| spellingShingle | Bernardi, Marco Palummo, Maurizia Grossman, Jeffrey C. Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride |
| title | Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride |
| title_full | Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride |
| title_fullStr | Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride |
| title_full_unstemmed | Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride |
| title_short | Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride |
| title_sort | optoelectronic properties in monolayers of hybridized graphene and hexagonal boron nitride |
| url | http://hdl.handle.net/1721.1/72379 https://orcid.org/0000-0003-1281-2359 |
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