A density functional study of Br on Cu(100) at low coverages

Density functional theory has been used to study the adsorption of Br on Cu(1 0 0) at low coverages. As expected, the most stable binding site for Br atoms is the fourfold hollow site. The barrier for Br hopping between adjacent hollow sites along 〈011〉 directions via twofold saddle points is estima...

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Bibliographic Details

Main Authors:	Steven Kenny, J.B. Pethica, R.G. Edgell
Format:	Default Article
Published:	2003
Subjects:	Other mathematical sciences not elsewhere classified Condensed matter physics not elsewhere classified Foundations of quantum mechanics Density functional calculations Chemisorption Adatoms Computer simulations Quantum Mechanics Mathematical Sciences not elsewhere classified Condensed Matter Physics
Online Access:	https://hdl.handle.net/2134/11640
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