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We present a theoretical study of the electronic structures of freestandingnanowires made from gallium phosphide (GaP)--a III-V semiconductor with anindirect bulk bandgap. We consider [001]-oriented GaP nanowires with square andrectangular cross sections, and [111]-oriented GaP nanowires with hexagonalcross sections. Based on tight binding models, both the band structures andwave functions of the nanowires are calculated. For the [001]-oriented GaPnanowires, the bands show anti-crossing structures, while the bands of the[111]-oriented nanowires display crossing structures. Two minima are observedin the conduction bands, while the maximum of the valence bands is always atthe $\Gamma$-point. Using double group theory, we analyze the symmetryproperties of the lowest conduction band states and highest valence band statesof GaP nanowires with different sizes and directions. The band state wavefunctions of the lowest conduction bands and the highest valence bands of thenanowires are evaluated by spatial probability distributions. For practicaluse, we fit the confinement energies of the electrons and holes in thenanowires to obtain an empirical formula.

Electronic structures of free-standing nanowires made from indirect bandgap semiconductor gallium phosphide