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Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3×3)−3C−SiC(1¯1¯1¯) reconstruction

MPS-Authors
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Nemec,  Lydia
Theory, Fritz Haber Institute, Max Planck Society;

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Lazarevic,  Florian
Theory, Fritz Haber Institute, Max Planck Society;

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Rinke,  Patrick
Theory, Fritz Haber Institute, Max Planck Society;
2COMP/Department of Applied Physics, Aalto University;

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Scheffler,  Matthias
Theory, Fritz Haber Institute, Max Planck Society;

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Blum,  Volker
Theory, Fritz Haber Institute, Max Planck Society;
Duke University, MEMS Department, Durham, NC 27708, USA;

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PhysRevB.91.161408.pdf
(Publisher version), 820KB

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Citation

Nemec, L., Lazarevic, F., Rinke, P., Scheffler, M., & Blum, V. (2015). Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3×3)−3C−SiC(1¯1¯1¯) reconstruction. Physical Review B, 91(16): 161408(R). doi:10.1103/PhysRevB.91.161408.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0026-B9C1-F
Abstract
We address the stability of the surface phases that occur on the C side of 3C-SiC(¯1 ¯1 ¯1) at the onset of graphene formation. In this growth range, experimental reports reveal a coexistence of several surface phases. This coexistence can be explained by a Si-rich model for the unknown (3 × 3) reconstruction, the known (2 × 2)C adatom phase, and the graphene-covered (2 × 2)C phase. By constructing an ab initio surface phase diagram using a van der Waals corrected density functional, we show that the formation of a well defined interface structure like the “buffer layer” on the Si side is blocked by Si-rich surface reconstructions.