Abstract
ABSTRACTSeveral small clusters of Ga and In with As and V atoms are pre-designed to study effects of spatial constraints on electronic and magnetic properties of such clusters by means of the Hartree-Fock (HF) method. The obtained electronic energy level structures (ELSs), optical transition energies (OTEs) and spin densities of these clusters are compared to those specific to the corresponding clusters nucleated without spatial constraints. The pre-designed indium-based clusters demonstrate the enhanced spin densities as compared to those of the gallium-based clusters with equal numbers of V atoms, and thus can be of interest for applications in spintronic and magneto-optic memory materials development.
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