Defects and impurities in jarosite: A computer simulation study
Computer modelling techniques involving a rigid ion model have been used to investigate the defect structure and impurity site preferences in end-member K-jarosite. Calculated intrinsic vacancy energies show that the K2SO4 neutral cluster, with an energy per species of 1.34 eV, will be the most comm...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
Elsevier
2006
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| Online Access: | http://hdl.handle.net/20.500.11937/5148 |