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Theory of alkali-metal-induced reconstructions of fcc(100) surfaces

Theory of alkali-metal-induced reconstructions of fcc(100) surfaces Calculations of missing-row reconstruction energies of the fcc(100) surfaces of the metals Al, Ni, Pd, Pt, Cu, Ag, and Au have been performed with the effective-medium theory with and without the presence of a potassium overlayer. It is shown that the tendency to reconstruct in the presence of adsorbed K is largest for Ag. This is in accordance with recent experiments indicating a potassium-induced missing-row reconstruction for Ag, but not for other metals. The tendency is shown to be related to the relatively low bulk modulus of silver. Differences from the well-known alkali-metal-induced reconstruction of fcc(110) surfaces are pointed out. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Theory of alkali-metal-induced reconstructions of fcc(100) surfaces

Christensen, O. B; Jacobsen, K. W
Physical Review B , Volume 45 (12) – Mar 15, 1992
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Publisher
American Physical Society (APS)
Copyright
Copyright © 1992 The American Physical Society
ISSN
1095-3795
DOI
10.1103/PhysRevB.45.6893
Publisher site
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Abstract

Calculations of missing-row reconstruction energies of the fcc(100) surfaces of the metals Al, Ni, Pd, Pt, Cu, Ag, and Au have been performed with the effective-medium theory with and without the presence of a potassium overlayer. It is shown that the tendency to reconstruct in the presence of adsorbed K is largest for Ag. This is in accordance with recent experiments indicating a potassium-induced missing-row reconstruction for Ag, but not for other metals. The tendency is shown to be related to the relatively low bulk modulus of silver. Differences from the well-known alkali-metal-induced reconstruction of fcc(110) surfaces are pointed out.

Journal

Physical Review B – American Physical Society (APS)

Published: Mar 15, 1992

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