Abstract

An ab initio study of the effects of quantum confinement has been performed for the first time in ultra thin ZnS films, unpassivated and passivated, by employing a self-consistent full potential linear muffin tin orbital (FP-LMTO) method. The studied films have a comparatively large thickness in the range of 2.7 Å to 29.7 Å. The fundamental band gap increases exponentially with a decrease in the size of the quantum confinement.

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