Defect properties of ionic solids. I. Point defects at the surfaces of face-centred cubic crystals
- 14 May 1977
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 10 (9) , 1431-1446
- https://doi.org/10.1088/0022-3719/10/9/016
Abstract
The Mott-Littleton method (1938) for the calculation of defects in ionic lattices has been extended to include surfaces. The computational procedures derive from those developed by Norgett and Lidiard (1972). Calculations are reported for intrinsic defects at the (001) and (011) surfaces of NaCl and MgO and for Ca2+, Li+ and K+ substitution effects in NaF.Keywords
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