Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride
Abstract
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.
Additional Information
© 2012 American Physical Society. (Received 2 February 2012; published 1 June 2012). M. B. acknowledges funding from Intel through the Intel Ph.D. Fellowship. We wish to thank NERSC for providing computational resources.Attached Files
Published - PhysRevLett.108.226805.pdf
Submitted - 1204.1542v1.pdf
Supplemental Material - Figure1s.eps
Supplemental Material - Figure2s.eps
Supplemental Material - Figure3s.eps
Supplemental Material - SupplementalMaterial.pdf
Supplemental Material - SupplementalMaterial.tex
Files
Name | Size | Download all |
---|---|---|
md5:64675bf763fd4590d9da57a39ccb54df
|
3.7 MB | Download |
md5:68118def6cea353e860b60f932a11162
|
4.3 kB | Download |
md5:76afeffef22d275a365a51eeaafb5e16
|
1.7 MB | Preview Download |
md5:f6f10a85c86d6b01e37d78d5832c33d2
|
798.3 kB | Preview Download |
md5:30ab0a5588382787471ac712c4da311d
|
421.6 kB | Preview Download |
md5:5169b10bba11d843037948e15218d8de
|
8.1 MB | Download |
md5:f791aedcc8cd5408df0f86fea9ebefed
|
7.9 MB | Download |
Additional details
- Alternative title
- Optoelectronic Properties and Excitons in Hybridized Boron Nitride and Graphene Hexagonal Monolayers
- Eprint ID
- 60524
- Resolver ID
- CaltechAUTHORS:20150925-115740755
- Intel
- Created
-
2015-09-25Created from EPrint's datestamp field
- Updated
-
2021-11-10Created from EPrint's last_modified field