Complexity of small silicon self-interstitial defects.
作者： D. A. Richie , Jeongnim Kim , Stephen A. Barr , Kaden R. A. Hazzard , Richard Hennig
DOI: 10.1103/PHYSREVLETT.92.045501
关键词:
摘要: The combination of long-time, tight-binding molecular dynamics and real-time multiresolution analysis techniques reveals the complexity small silicon interstitial defects. stability identified structures is confirmed by ab initio relaxations. majority were previously unknown, demonstrating effectiveness approach. A new, spatially extended tri-interstitial ground state structure as a probable nucleation site for larger defects may be key compact-to-extended transition.
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