A L Shluger et al 2009 Modelling Simul. Mater. Sci. Eng. 17 084004 doi:10.1088/0965-0393/17/8/084004
Modelling of electron and hole trapping in oxides
A L Shluger1,2, K P McKenna1,2, P V Sushko1,2, D Muñoz Ramo1,3 and A V Kimmel1,4
Show affiliationsWe critically review several examples of successful modelling of electron and hole trapping in metal oxides, which demonstrate a breadth of polaronic behaviour. The examples range from self-trapping in the perfect lattice to trapping by structural defects and impurities and illustrate the important phenomenon of charge localization. We present recent results in four different systems: nanoporous mayenite, amorphous SiO2, crystalline hafnia and MgO surfaces and interfaces. The complex nature of charge trapping and polaronic behaviour in these systems can go beyond traditional cases and illustrate the different challenges involved.
- PACS
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71.38.Ht Self-trapped or small polarons
72.20.Jv Charge carriers: generation, recombination, lifetime, and trapping
73.20.Hb Impurity and defect levels; energy states of adsorbed species
- Subjects
- Dates
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Issue 8 (December 2009)
Received 6 July 2009, in final form 12 October 2009
Published 23 November 2009
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Modelling of electron and hole trapping in oxides
A L Shluger et al 2009 Modelling Simul. Mater. Sci. Eng. 17 084004
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