Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) which can be shown to be at the origin of rather strong potentials with both scalar and vector components. We present an extensive microscopic study, based on a self-consistent Kohn-Sham-Dirac density-functional method, of the carrier-density distribution in the presence of these ripple-induced external fields. We find that spatial density fluctuations are essentially controlled by the scalar component, especially in nearly neutral graphene sheets, and that in-plane atomic displacements are as important as out-of-plane ones. The latter fact is at the origin of a complicated spatial distribution of electron-hole puddles which has no evident correlation with the out-of-plane topographic corrugations. In the range of parameters we have explored, exchange and correlation contributions to the Kohn-Sham potential seem to play a minor role. © 2010 The American Physical Society.

Electron density distribution and screening in rippled graphene sheets / Gibertini, M.; Tomadin, A.; Polini, M.; Fasolino, A.; Katsnelson, M. I.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 81:12(2010), pp. 125437-125448. [10.1103/PhysRevB.81.125437]

Electron density distribution and screening in rippled graphene sheets

Gibertini M.;
2010

Abstract

Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) which can be shown to be at the origin of rather strong potentials with both scalar and vector components. We present an extensive microscopic study, based on a self-consistent Kohn-Sham-Dirac density-functional method, of the carrier-density distribution in the presence of these ripple-induced external fields. We find that spatial density fluctuations are essentially controlled by the scalar component, especially in nearly neutral graphene sheets, and that in-plane atomic displacements are as important as out-of-plane ones. The latter fact is at the origin of a complicated spatial distribution of electron-hole puddles which has no evident correlation with the out-of-plane topographic corrugations. In the range of parameters we have explored, exchange and correlation contributions to the Kohn-Sham potential seem to play a minor role. © 2010 The American Physical Society.
2010
81
12
125437
125448
Electron density distribution and screening in rippled graphene sheets / Gibertini, M.; Tomadin, A.; Polini, M.; Fasolino, A.; Katsnelson, M. I.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 81:12(2010), pp. 125437-125448. [10.1103/PhysRevB.81.125437]
Gibertini, M.; Tomadin, A.; Polini, M.; Fasolino, A.; Katsnelson, M. I.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1186475
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