Energetics of P–Si and P–P dimers on the Si(100)-2×1 surface

Autor:	I.A Kuyanov, V.G. Zavodinsky
Rok vydání:	1999
Předmět:	Silicon Dopant Chemistry Austin Model 1 Energetics General Physics and Astronomy chemistry.chemical_element Surfaces and Interfaces General Chemistry Condensed Matter Physics Energy minimization Surface energy Surfaces Coatings and Films Crystallography Cluster (physics) Cluster size
Zdroj:	Applied Surface Science. 141:193-196
ISSN:	0169-4332
Popis:	The Austin Model 1 (AM1) semi-empirical numerical method combined with the geometry optimization procedure was used to study the energetics of P–Si and P–P dimers on the Si(100)-2×1 surface in a cluster approach. It has been found that the P–Si dimers are more preferable energetically. The energy profit depends on the cluster size and is about 0.8–0.9 eV for large clusters.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b7c39a115ac9483cd05bc7920dd377be https://doi.org/10.1016/s0169-4332(98)00780-6 Zobrazit plný text záznamu Full Text from ScienceDirect