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The structural and electronic properties of some A "B' C2 ternary semiconductors with chalcopyrite structure are investigated using both the full potential linearized augmented plane wave and the ab initio pseudopotential methods. The total-energy approach is used to determine the internal distortion parameter u, discussed for these materials in terms of atomic radii. In addition, we study the band-gap anomaly, defined as the energy di6'erence with respect to the III-V binary analog compound, and the crystalfield splitting of the valence-band maximum. %e also present a total-energy study of the equilibrium structure of CdSnSb2, a potential new chalcopyrite semiconductor that might be stabilized via epitaxial growth on the well-matched InSb substrate.

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