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- 1. Phys. Rev. B 73, 235211 (2006) , “Ab initio calculations for the interconversion of optically active defects in amorphous silica”, M. M. G. Alemany and James R. ChelikowskyUsing ab initio calculations on clusters, we have identified a new reaction path between the dicoordinated silicon atom defect and the paramagnetic Egamma[prime]" align="middle"> center in amorphous silica. Under ionizing irradiation, the dicoordinated silicon atom... (Read more)
- 2. Phys. Rev. Lett. 97, 066101 (2006) , “Structure and Interconversion of Oxygen-Vacancy-Related Defects on Amorphous Silica”, Chin-Lung Kuo and Gyeong S. HwangAtomic structure and structural stability of neutral oxygen vacancies on amorphous silica are investigated using combined Monte Carlo and density functional calculations. We find that, unlike their bulk counterparts, the Si-Si dimer configuration of surface oxygen vacancies is likely to be unstable... (Read more)
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Updated at 2010-07-20 16:50:39
Updated at 2010-07-20 16:50:39
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1329 | untagged |
Materials
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Others(101 tags)
Technique
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Details
(591 tags)
Bond(35 tags)
Defect(interstitial)(18 tags)
Defect(vacancy)(15 tags)
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Element(65 tags)
Energy(8 tags)
Isotope(56 tags)
Label(303 tags)
Sample(17 tags)
Spin(8 tags)
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