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Physical Review Letters

Volumn 69, Issue 10, 1992, Pages 1564-1567

Elastic stress domains and the herringbone reconstruction on Au(111)

(2) Narasimhan, Shobhana a Vanderbilt, David b

a BROOKHAVEN NATIONAL LABORATORY (United States)

b RUTGERS UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 3843072491 PISSN: 00319007 EISSN: None Source Type: Journal
DOI: 10.1103/PhysRevLett.69.1564 Document Type: Article

Times cited : (280)

References (22)

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- We have verified, using test values of the chemical potential, and the correspondingly shifted values of b required to reproduce the correct periodicity, that the final relaxed configurations [for both the ( n times sqrt 3 ) and herringbone] are essentially indistinguishable from those obtained with the chemical potential set to zero.

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- In the FK model, there is an undetermined contribution to the surface stress coming from the variation of the substrate potential with strain. In fact, the magnitude of the stress of the ( 1 times 1 ) surface is underestimated relative to that of Needs and Mansfield by a factor of app 2.1. However, we also note that their calculation does not permit relaxation of interlayer separations perpendicular to the surface, resulting in an overestimate of g.

22
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