Ab initio lattice dynamics of Ag(110)

Narasimhan, Shobhana

dc.contributor.author	Narasimhan, Shobhana
dc.date.accessioned	2012-03-05T11:27:03Z
dc.date.available	2012-03-05T11:27:03Z
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/10572/558
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.sponsorship	Jawaharlal Nehru Ctr Adv Sci Res, Theoret Sci Unit, Bangalore 560064, Karnataka India.	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	Transition resonances	en_US
dc.title	Ab initio lattice dynamics of Ag(110)	en_US
dc.type	Article	en_US