dc.citation.number |
19 |
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dc.citation.title |
PHYSICAL REVIEW B |
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dc.citation.volume |
69 |
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dc.contributor.author |
Park, Noejung |
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dc.contributor.author |
Park, S |
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dc.contributor.author |
Hwang, NM |
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dc.contributor.author |
Ihm, J |
- |
dc.contributor.author |
Tejima, S |
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dc.contributor.author |
Nakamura, H |
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dc.date.accessioned |
2023-12-22T11:06:26Z |
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dc.date.available |
2023-12-22T11:06:26Z |
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dc.date.created |
2014-11-10 |
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dc.date.issued |
2004-05 |
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dc.description.abstract |
Effects of net charge on the stability of the diamond nanocluster are investigated using the first-principles pseudopotential method with the local density approximation. We find that the charged nanocluster favors the diamond phase over the reconstruction into a fullerene-like structure. Occupying the dangling bond orbitals in the outermost surface, the excess charge can stabilize the bare diamond surface and destabilize the C-H bond on the hydrogenated surface. In combination with recent experimental results, our calculations suggest that negative charging could promote the nucleation and further growth of low-pressure diamond. |
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dc.identifier.bibliographicCitation |
PHYSICAL REVIEW B, v.69, no.19 |
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dc.identifier.doi |
10.1103/PhysRevB.69.195411 |
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dc.identifier.issn |
2469-9950 |
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dc.identifier.scopusid |
2-s2.0-37649029571 |
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dc.identifier.uri |
https://scholarworks.unist.ac.kr/handle/201301/8523 |
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dc.identifier.url |
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=37649029571 |
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dc.identifier.wosid |
000221961700075 |
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dc.language |
영어 |
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dc.publisher |
AMERICAN PHYSICAL SOC |
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dc.title |
First-principles study of the effect of charge on the stability of a diamond nanocluster surface |
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dc.type |
Article |
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