Phys. Rev. Lett. 92, 045501 (2004) [4 pages]Complexity of Small Silicon Self-Interstitial DefectsReceived 30 May 2003; published 28 January 2004 The combination of long-time, tight-binding molecular dynamics and real-time multiresolution analysis techniques reveals the complexity of small silicon interstitial defects. The stability of identified structures is confirmed by ab initio relaxations. The majority of structures were previously unknown, demonstrating the effectiveness of the approach. A new, spatially extended tri-interstitial ground state structure is identified as a probable nucleation site for larger extended defects and may be key for the compact-to-extended transition. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.92.045501
DOI:
10.1103/PhysRevLett.92.045501
PACS:
61.72.Ji, 71.15.Pd, 71.55.–i, 73.22.–f
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