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Titolo:
Multilayer-relaxed structure of the (1 x 2) Pt(110) surface
Autore:
Lee, JI; Mannstadt, W; Freeman, AJ;
Indirizzi:
Inha Univ, Dept Phys, Inchon 402751, South Korea Inha Univ Inchon South Korea 402751 ept Phys, Inchon 402751, South Korea Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA NorthwesternUniv Evanston IL USA 60208 & Astron, Evanston, IL 60208 USA
Titolo Testata:
PHYSICAL REVIEW B-CONDENSED MATTER
fascicolo: 3, volume: 59, anno: 1999,
pagine: 1673 - 1676
SICI:
0163-1829(19990115)59:3<1673:MSOT(X>2.0.ZU;2-M
Fonte:
ISI
Lingua:
ENG
Soggetto:
ENERGY-ION-SCATTERING; 110 SURFACES; AU(110); RECONSTRUCTION; 1X2; DIFFRACTION; ENERGETICS; TRANSITION; METALS; RHEED;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
28
Recensione:
Indirizzi per estratti:
Indirizzo: Lee, JI Inha Univ, Dept Phys, Inchon 402751, South Korea Inha Univ Inchon South Korea 402751 , Inchon 402751, South Korea
Citazione:
J.I. Lee et al., "Multilayer-relaxed structure of the (1 x 2) Pt(110) surface", PHYS REV B, 59(3), 1999, pp. 1673-1676

Abstract

The multilayer-relaxed structure and electronic properties of the (1 x 2) Pt(110) surface have been investigated by the self-consistent all-electron full-potential linearized augmented plane-wave method. The relaxed geometry, determined by total energy and atomic force calculations, shows large contractions in the first and second interlayer spacings, significant bucklingin the third layer, and a lateral displacement in the fourth (center) layer of the slab. In general, our calculated results are consistent with experimental data. The microscopic origin of the relaxed structure is discussed using the calculated electronic structures. The large inward relaxation of the surface atoms is attributed to the more localized nature of their 5d electrons, which weakens the d-d hybridization. [S0163-1829(99)06804-6].

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 30/11/20 alle ore 09:25:43