First principles calculations of lattice relaxation at low index surfaces of Cu

Autor:	K. M. Ho, K.P. Bohnen, Th. Rodach
Rok vydání:	1993
Předmět:	Condensed matter physics Scattering Chemistry Surfaces and Interfaces Condensed Matter Physics Surface energy Ion Surfaces Coatings and Films Condensed Matter::Materials Science Nuclear magnetic resonance Lattice (order) Relaxation effect Materials Chemistry Work function Total energy
Zdroj:	Surface Science. 286:66-72
ISSN:	0039-6028
Popis:	Using first principles total energy calculations, the lattice relaxation, surface energy and work function of low index surfaces of Cu are calculated. While the (111) and (100) surfaces show only small relaxation effects, the (110) surface exhibits pronounced multilayer relaxation which is typical for all fcc (110) surfaces. The results are in good agreement with experimental LEED and ion scattering studies.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38010a7f79f22f0ac61d8b52b7bc1dbd https://doi.org/10.1016/0039-6028(93)90556-y Zobrazit plný text záznamu