PMID:18232887
| Citation |
Yang, HX, Xu, LF, Fang, Z, Gu, CZ and Zhang, SB (2008) Bond-counting rule for carbon and its application to the roughness of diamond (001). Phys. Rev. Lett. 100:026101 |
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| Abstract |
Despite that carbon is tetravalent identical to silicon, first-principles calculations reveal that stable step structures on diamond (001) are entirely different from those on silicon. Moreover, pristine Si(001) is flat; pristine diamond (001) could be rough due to negative step formation energies. A generic bond-counting rule is established, which should apply to most carbon structures where sp2 and sp3 hybrids coexist: e.g., it provides a qualitative account of the step energy order without detailed calculation. Our findings agree with experimental observations. |
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