First-Principles Calculation of Be(0001) Thin Films: Quantum Size Effect and Adsorption of Atomic Hydrogen

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dc.creatorZhang, Ping
dc.creatorSong, Hong-Zhou
dc.date2007-03-13
dc.date.accessioned2026-07-07T07:51:37Z
dc.date.available2026-07-07T07:51:37Z
dc.descriptionWe have carried out first-principles calculations of Be(0001) thin films to study the oscillatory quantum size effects exhibited in the surface energy, work function, and binding energy of the atomic hydrogen monolayer adsorption. The prominent enhancement of the surface density of states at the Fermi level makes Be(0001) thin films more metallic compared to the crystalline Be. As a result, the calculated energetics of Be films and the properties of atomic H adsorption onto Be(0001) surface are featured by a quantum oscillatory behavior. Furthermore, The prominent change in the Be(0001) surface electronic structure by the atomic hydrogen adsorption has also been shown.
dc.description8 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0703331
dc.identifierhttp://arxiv.org/abs/cond-mat/0703331
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/125579
dc.subjectMaterials Science
dc.subjectMesoscale and Nanoscale Physics
dc.titleFirst-Principles Calculation of Be(0001) Thin Films: Quantum Size Effect and Adsorption of Atomic Hydrogen
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