Graphene to graphite: electronic changes within DFT calculations
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| Formato: | Artículo científico |
| Lenguaje: | en |
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Sociedade Brasileira de Física
2009
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| _version_ | 1876427052599476224 |
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| author | A.Z. AlZahrani |
| author_facet | A.Z. AlZahrani |
| contents | Graphene to graphite: electronic changes within DFT calculations A.Z. AlZahrani G.P. Srivastava Física, Astronomía y Matemáticas Graphene Graphite Fermi surface Bilayer graphene Multilayer graphene Calculations based on the first-principles pseudopotential plane-wave method and density-functional theory are performed to investigate the electronic properties of graphene, bilayer graphene, multilayer graphene, and graphite. From an analysis of the electronic band structure close to the Fermi level, we have quantified the gradual change in the Fermi surface topology from the point-like structure for graphene to a warped triangular shape for graphite. We have also discussed the gradual change in the electron and hole effective masses and velocities as the system evolves from graphene to graphite. 2009 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46413564013 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.4 Vol.39 |
| format | Artículo científico |
| id | redalyc_46413564013 |
| institution | Redalyc |
| language | en |
| publishDate | 2009 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Graphene to graphite: electronic changes within DFT calculations A.Z. AlZahrani Física, Astronomía y Matemáticas Graphene Graphite Fermi surface Bilayer graphene Multilayer graphene Graphene to graphite: electronic changes within DFT calculations A.Z. AlZahrani G.P. Srivastava Física, Astronomía y Matemáticas Graphene Graphite Fermi surface Bilayer graphene Multilayer graphene Calculations based on the first-principles pseudopotential plane-wave method and density-functional theory are performed to investigate the electronic properties of graphene, bilayer graphene, multilayer graphene, and graphite. From an analysis of the electronic band structure close to the Fermi level, we have quantified the gradual change in the Fermi surface topology from the point-like structure for graphene to a warped triangular shape for graphite. We have also discussed the gradual change in the electron and hole effective masses and velocities as the system evolves from graphene to graphite. 2009 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46413564013 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.4 Vol.39 |
| title | Graphene to graphite: electronic changes within DFT calculations |
| topic | Física, Astronomía y Matemáticas Graphene Graphite Fermi surface Bilayer graphene Multilayer graphene |
| url | https://www.redalyc.org/articulo.oa?id=46413564013 |