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| DOI | 10.1103/PHYSREVB.94.115438 | ||||
| Año | 2016 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Using first-principles calculations, we report a large band-gap opening in the van der Waals heterostructure of graphene and graphane (hydrogenated graphene) under normal compressive (NC) strain. In the presence of graphane, interlayer charge transfer from graphene to graphane triggers the intralayer charge redistribution in graphene, breaking the equivalence of the two sublattices. This chiral symmetry breaking, however, is not strong enough to split the Dirac cone. The application of the NC strain enhances the inter-and intralayer charge transfer leading to a splitting of the Dirac cone, reflected as a redshift of the G peak in Raman spectra. With strain, the band gap increases monotonically and attains a maximum of 0.74 eV at 20% strain, which is the largest ever reported splitting of a Dirac cone in graphene. Tight-binding analysis demonstrates that the applied strain changes the on-site interactions of carbon atoms belonging to a particular sublattice of graphene, thereby breaking the chiral symmetry leading to the opening of a band gap. A sufficiently large band gap with linear dispersion of Dirac bands in the graphene/graphane heterostructure constitutes promising features for room-temperature electronic and optical devices.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Das, Deya | - |
Indian Inst Sci - India
Indian Institute of Science, Bengaluru - India Indian Institute of Science - India |
| 2 | Bhattacharyya, Swastibrata | - |
Indian Inst Sci - India
Indian Institute of Science, Bengaluru - India Indian Institute of Science - India |
| 3 | MUNOZ-ORTIZ, ENRIQUE | Hombre |
Pontificia Universidad Católica de Chile - Chile
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| 4 | Singh, Abhishek K. | - |
Indian Inst Sci - India
Indian Institute of Science, Bengaluru - India Indian Institute of Science - India |
| Fuente |
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| Fondo Nacional de Desarrollo Científico y Tecnológico |
| FONDECYT (Chile) |
| Fondo Nacional de Desarrollo CientÃfico y Tecnológico |
| DST Nanomission |
| Department of Science and Technology, Ministry of Science and Technology, India |
| Materials Research Centre and Super-computer Education and Research Centre |
| Indian Institute of Science |
| Agradecimiento |
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| This work was supported by DST nanomission. The authors thank the Materials Research Centre and Super-computer Education and Research Centre, Indian Institute of Science for the computing facilities. E. Munoz aknowledges financial support from Fondecyt (Chile) 1141146. The authors acknowledge T. Pandey and A. Samanta for useful discussions. |
| This work was supported by DST nanomission. The authors thank the Materials Research Centre and Super-computer Education and Research Centre, Indian Institute of Science for the computing facilities. E. Muoz aknowledges financial support from Fondecyt (Chile) 1141146. The authors acknowledge T. Pandey and A. Samanta for useful discussions. |