The basic atomic processes of corrosion I. Electronic conduction in MnO, CoO and NiO
- 1 January 1977
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine
- Vol. 35 (1) , 177-187
- https://doi.org/10.1080/14786437708235981
Abstract
We have used simple ionic models to study the lattice distortion and polarization about localized holes in MnO, CoO and NiO. Our results demonstrate a rather fine balance between factors favouring localized small polarons and band-state large polarons, but we find the correct trend consistent with the observation of small polarons in MnO and large polarons in CoO and NiO. Our calculations of the activation energy for hole hopping give results in good general agreement with the measured free hole mobility in MnO and the trapped small polaron motion in CoO and NiO. We can also make reasonable estimates of the binding of the hole to a monovalent dopant. These satisfactory conclusions seem to justify the neglect of the complications of Jahn-Teller, crystal field and covalency contributions in our models.Keywords
This publication has 23 references indexed in Scilit:
- Shell and breathing shell model calculations for defect formation energies and volumes in magnesium oxideJournal of Physics C: Solid State Physics, 1976
- Calculations of defect clustering in Fe1-xOJournal of Physics C: Solid State Physics, 1975
- Critical Scattering and Band Conduction in Nearly Stoichiometric FeOPublished by Springer Nature ,1974
- Shell model calculations of the energies of formation of point defects in alkaline earth fluoridesJournal of Physics C: Solid State Physics, 1973
- Small-polaron versus band conduction in some transition-metal oxidesAdvances in Physics, 1970
- Jahn-Teller theory of Cr2+ in corundumJournal of Physics C: Solid State Physics, 1969
- Optical absorption of small polarons in semiconducting NiO and CoO in the near and far infra-redJournal of Physics C: Solid State Physics, 1968
- Mechanism of the Electrical Conduction in Li-Doped NiOPhysical Review B, 1966
- Remark on the Hopping Transition Probability of Polaron Holes in NiOPhysical Review B, 1966
- Theory of the oxidation of metalsReports on Progress in Physics, 1949