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Controlling Electronic Structure Through Epitaxial Strain in ZnSe/ZnTe Nano-heterostructures

Using first-principles computations, we study the effect of epitaxial strains on electronic structure variations across ZnSe/ZnTe nano-heterostructures. Epitaxial strains of various types are modeled using pseudomorphic ZnSe/ZnTe heterostructures. We find that a wide range of band gaps (spanning the visible solar spectrum) and band offsets (0-1.5 eV) is accessible across the heterostructures in a controllable manner via reasonable levels of epitaxial strain. In addition to quantum confinement effects, strain in ZnSe/ZnTe heterostructures may thus be viewed as a powerful degree of freedom that can enable the rational design of optoelectronic devices.