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Ab initio lattice dynamics of Ag(110)

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dc.contributor.author Narasimhan, Shobhana
dc.date.accessioned 2012-03-07T06:11:26Z
dc.date.available 2012-03-07T06:11:26Z
dc.date.issued 2002-01-10
dc.identifier 0039-6028 en_US
dc.identifier.citation Surface Science 496(3), 331–344 (2002) en_US
dc.identifier.uri https://libjncir.jncasr.ac.in/xmlui/10572/576
dc.description Restricted Access en_US
dc.description.abstract The lattice dynamics of Ag(110) is investigated by performing ab initio calculations to obtain the bulk and surface interatomic force constants. The results from the ab initio results are used to parametrize a model potential, so as to obtain phonon frequencies and eigenvectors throughout the bulk and surface Brillouin zones. The surface force constants are modified significantly from the bulk values, with alternate interlayer force constants being stiffened and softened. The coupling between next-nearest-neighbor surface atoms is unstable, hinting at a (weak) tendency towards missing-row reconstruction. The calculated surface phonon spectra are in good agreement with experiment. (C) 2001 Elsevier Science B.V. All rights reserved. en_US
dc.description.uri http://dx.doi.org/10.1016/S0039-6028(01)01619-3 en_US
dc.language.iso en en_US
dc.publisher Elsevier Science BV en_US
dc.rights © 2002 Elsevier Science BV en_US
dc.subject density functional calculations en_US
dc.subject surface relaxation and reconstruction en_US
dc.subject surface waves en_US
dc.subject phonons en_US
dc.subject silver en_US
dc.subject low index single crystal surfaces en_US
dc.subject Energy-Ion-Scattering en_US
dc.subject Al(110) Surface en_US
dc.subject Metal-Surfaces en_US
dc.subject Multilayer Relaxation en_US
dc.subject Thermal-Expansion en_US
dc.subject Phonon en_US
dc.subject Transition en_US
dc.subject Resonances en_US
dc.subject Vibrations en_US
dc.subject Modes en_US
dc.title Ab initio lattice dynamics of Ag(110) en_US
dc.type Article en_US


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