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In this paper we show how to link the electronic structures of two III-Vsystems, one a direct gap material, GaAs, and the other an indirect gapmaterial, GaP, from their bulks right down to the shape of thin nanowires. GaAsand GaP bulk and nanowire systems are studied in the zincblende and wurtzitestructures both free of strain and subjected to biaxial strains perpendicularto the [111]/[0001] direction. We provide an interpretation of the bandstructure of nanowires, grown along the [111] (zinc-blende structure) and the[0001] (wurtzite structure) directions, in terms of the bulk band structures ofthe corresponding binary compounds. The procedure reveals the origin of thevalence and conduction valleys relevant to determine the nature (direct orindirect) of the band gaps and the kind (direct and pseudodirect) of thevalence to conduction transitions. Thus, by calculating only the bulk bands itis possible to describe the behavior of the nanowire bands even for very thinnanowires. The effects on the band structures due to biaxial strain areanalogously analyzed, providing for bulk GaP the first results in literature.The role of confinement, and surface relaxation, in determining the nanowireelectronic structure of thin nanowires are analyzed separately revealing thatthe change in the nature of the band gap is due mainly to surface relaxationeffects, not confinement. We show that the change for indirect/direct of thegap from the bulk to the 1D systems is mainly due to the competition betweenthe energies of bulk conduction valleys which are differently inuenced byconfinement and strain. While the main effect of confinement is to open allgaps it is not necessarily the main cause of the direct/indirect change in thenature of the electronic gap as instead is usually claimed in the literature.

Band folding, strain, confinement, and surface relaxation effects on the electronic structure of GaAs and GaP: from bulk to nanowires