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Calculated Impurity Segregation at the Surfaces of α-Al2O3

Published online by Cambridge University Press:  28 February 2011

W. C. MacKrodt  and
P. W. Tasker
W. C. MacKrodt
Affiliation:
ICI plc, New Science Group, P.O. Box 11, The Heath, Runcorn, Cheshire WA7 4QE, England
P. W. Tasker
Affiliation:
Theoretical Physics Division, A.E.R.E. Harwell, Oxon, OXO 11RA, England
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Abstract

Atomistic lattice simulations are reported of the segregation of yttrium at the {0001}, {1010} and {0112} surfaces and magnesium at the {0001} surface of α-Al2O3. Equilibrium coverages are deduced from the calculated enthalpies of segregation on the basis of a non-Arrhenius isotherm. For magnesium the calculated enthalpy of segregation at low coverage, ∼158 kJ mole−1, is in good agreement with a measured value of ∼146 kJ mole−1 reported recently.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 60: Symposium L – Defect Properties and Processing of High-Technology Nonmetallic Materials , 1985 , 291
Copyright
Copyright © Materials Research Society 1986

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References

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