Abstract
We predict, on the basis of ab-initio total energy calculations, that epitaxial growth of I-VII compounds on III-V substrates can be accomplished (see Fig. 1). We suggest specific combinations of I-VII materials and III-V substrates that minimize lattice mismatch and structural energy cost and show that the interface dipole can be minimal (see Table I). This makes zinc-blende I-VII materials potential candidates for passivating layers, solid state laser applications, III-V window material and hole traps. The work is published in Reference [1].
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