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: Article

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 originalEnglish
Páginas (desde-hasta)67-71
Número de páginas5
PublicaciónChemical Physics Letters
Volumen522
DOI
EstadoPublished - 19 ene 2012

Huella dactilar

Potential energy surfaces
potential energy
Electrons
valence
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Citar esto

Osorio, Edison ; Villalobos, Valeria ; Santos, Juan C. ; Donald, Kelling J. ; Merino, Gabriel ; Tiznado, William. / Structure and stability of the Si 4Li n (n = 1-7) binary clusters. En: Chemical Physics Letters. 2012 ; Vol. 522. pp. 67-71.
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Structure and stability of the Si 4Li n (n = 1-7) binary clusters. / Osorio, Edison; Villalobos, Valeria; Santos, Juan C.; Donald, Kelling J.; Merino, Gabriel; Tiznado, William.

En: Chemical Physics Letters, Vol. 522, 19.01.2012, p. 67-71.

Resultado de la investigación: Article

TY - JOUR

T1 - Structure and stability of the Si 4Li n (n = 1-7) binary clusters

AU - Osorio, Edison

AU - Villalobos, Valeria

AU - Santos, Juan C.

AU - Donald, Kelling J.

AU - Merino, Gabriel

AU - Tiznado, William

PY - 2012/1/19

Y1 - 2012/1/19

N2 - 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.

AB - 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.

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