Study of the Geometric Structures, Electronic and Magnetic Properties of Aluminium-Antimony Alloy Clusters.

A joint investigation based on an unbiased CALYPSO structure searching method and density functional theory calculation is performed to obtain the most stable structures of the neutral and anionic AlnSb (n = 1-16) clusters. The relative stability analysis reveals that the Al3Sb, Al5Sb, Al5Sb- and Al...

Descripción completa

Detalles Bibliográficos

Publicado en:	Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 74; no. 2; pp. 109 - 121
Autores principales:	Ai-Jie Mao, Xiao-Yu Kuang, Hao Cheng, Li-Huan Zhang, Xiao-Rong Cheng
Formato:	Artículo
Publicado:	De Gruyter Feb2019
Materias:	Magnetic properties Density functionals Density functional theory Photoelectron spectra Magnetic moments
Acceso en línea:	Ver este registro en EBSCOhost