Work

Nature and Strength of Interlayer Binding in Graphite

Year: 2009

Type: article

Abstract: We compute the interlayer bonding properties of graphite using an ab initio many-body theory. We carry out variational and diffusion quantum Monte Carlo calculations and find an equilibrium interlayer binding energy in good agreement with most recent experiments. We also analyze the behavior of the total energy as a function of interlayer separation at large distances comparing the results with the predictions of the random phase approximation.

Source: Physical Review Letters

DOI: 10.1103/physrevlett.103.196401

Authors: Leonardo Spanu, Sandro Sorella, Giulia Galli

Institutions: University of California, Davis, Scuola Internazionale Superiore di Studi Avanzati

Language: English

Topic: Graphene research and applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: U.S. Department of Energy, Ministero dell’Istruzione, dell’Università e della Ricerca

Award: INSTITUTE FOR QUANTUM SIMULATIONS OF MATERIALS AND NANOSTRUCTURES