STRUCTURES STABILITES AND ELECTRONIC PROPERTIES OF GAAS CONDENSED CLUSTERS

Abstract: First-principal calculation are conceded out to appreciate the structural stability and electronic properties of nanotubes cluster and fundamental building blocks, GanAsn (n=1-3) small cluster by linear stacking of stable isomers, the condensed clusters, (GanAsn)m where n=1-3 and m =1-6 are modeled. The structure stability of condensed cluster their building blocks are achieved from the electron density of states. Electronic properties of all condensed cluster, with m=4 are interesting in photo catalytic application as they have large energy gap than that of bulk. Our calculations also so that the (Ga3As3)m cluster are energetically more stable as compared with other condensed cluster.

Keywords: Carbon nanotubes, Density Functional Theory, Gallium arsenide.