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Density functional study of graphene overlayers on SiC by Alexander Mattausch; Oleg Pankratov is a Physics and Astronomy article available to read on EtoBox.

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## Abstract Despite the ongoing “graphene boom” of the last three years our understanding of epitaxial graphene grown on SiC substrate is only beginning to emerge. Along with experimental methods such as low energy electron diffraction (LEED), scanning tunneling microscopy (STM) and angle resolved photoemission spectroscopy (ARPES), __ab initio__ calculations help to uncover the geometric and electronic structure of the graphene/SiC interface. In this chapter we describe the density‐functional calculations we performed for single and double graphene layers on Si‐ and C‐terminated 6H‐SiC surfaces. Experimental data reveal a pronounced difference between the two surface terminations. On a Si‐terminated surface the interface adopts a 6√3 × 6√3 unit cell whereas the C‐face supports misoriented (turbostratic) graphene layers. It has been recently realized that, on the Si‐face, the large commensurate cell is subdivided into patches of coherently matching to the substrate carbon atoms. In our calculations we assumed the “coherent match” geometry for the whole interface plane. This reduces the periodic unit to the √3 × √3__R__ 30° cell but requires a substantial stretching of the graphene

Who reads Density functional study of graphene overlayers on SiC?

Author

Alexander Mattausch; Oleg Pankratov

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley (ISSN 0370-1972)

Published

2008

Language

EN

Field

Physics and Astronomy (Physical Sciences)