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|Title:||Hole trapping properties of germanium in α-quartz|
|Authors:||Zhang, X. |
|Citation:||Zhang, X., Ong, C.K. (1995). Hole trapping properties of germanium in α-quartz. Journal of Physics Condensed Matter 7 (8) : 1603-1615. ScholarBank@NUS Repository. https://doi.org/10.1088/0953-8984/7/8/009|
|Abstract:||We present the first calculation of the self-trapping properties of germanium in α-quartz using the classic defect simulation technique. Our calculation suggests that it is easier for a hole to be self-trapped at oxygen ions next to a Ge3+ ion than a Ge4+ ion, which is in agreement with the experimental results. The hole self-trapping next to Ge3+ is accompanied by a large network distortion. Our results indicate that the most favourable hole trapping site is the next-nearest-neighbour oxygen to the Ge3+ ion, rather than the nearest-neighbour oxygens. Examining the most favourable hole trapping sites, we suggest that the distortion in the Si-O-Si bond angle plays a more important role in hole self-trapping than that in the Si-O bond length.|
|Source Title:||Journal of Physics Condensed Matter|
|Appears in Collections:||Staff Publications|
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