Atomistic simulation of oxide surfaces

Author:

Mackrodt W. C.

Publisher

Springer Science and Business Media LLC

Subject

Geochemistry and Petrology,General Materials Science

Reference24 articles.

1. Baik S, Fowler DE, Blakely JM, Raj R (1985) Segregation of Mg to the (0001) surface of doped sapphire. J Am Ceram Soc 68:281?286

2. Catlow CRA, Faux ID, Norgett MJ (1976) Shell and breathing shell model calculations for defect formation energies and volumes in magnesium oxide. J Phys. C9:419?430

3. Catlow CRA, Mackrodt WC (1982) Theory of simulation methods for lattice and defect energy calculations in crystals. In: Catlow CRA and Mackrodt WC (ed) Computer simulation of solids. Springer, Berlin Heidelberg New York, pp 3?20

4. Colbourn EA, Mackrodt WC, Tasker PW (1985) The influence of impurity polarizability and unit cell size on the segregation of Ca2+, Sr2+ and Ba2+ at the (001) surface of MgO, Physica 131B:41?45

5. Dick BG, Overhauser AW (1958) Theory of dielectric constants of alkali halide crystals. Phys Rev 112:90?103

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