Structure and stability of the Si 4Li n (n = 1-7) binary clusters

Edison Osorio, Valeria Villalobos, Juan C. Santos, Kelling J. Donald, Gabriel Merino, William Tiznado

Resultado de la investigación: Contribución a una revistaArtículo

11 Citas (Scopus)

Resumen

The potential energy surfaces of the Si 4Li n (n = 1-7) systems have been explored in detail and the global minimum structures were identified. The stability and growth patterns of the title clusters is rationalized in terms of the phenomenological shell model in which the tetrahedral Si 4Li 4 cluster is a closed shell (20 valence electron) highly stable cluster. Given that the structures reported herein are global minima on their corresponding potential energy surfaces, we propose them as good candidates for experimental detection.

Idioma originalInglés
Páginas (desde-hasta)67-71
Número de páginas5
PublicaciónChemical Physics Letters
Volumen522
DOI
EstadoPublicada - 19 ene 2012

    Huella digital

Citar esto

Osorio, E., Villalobos, V., Santos, J. C., Donald, K. J., Merino, G., & Tiznado, W. (2012). Structure and stability of the Si 4Li n (n = 1-7) binary clusters. Chemical Physics Letters, 522, 67-71. https://doi.org/10.1016/j.cplett.2011.11.078