Abstract
The ternary alloys and superlattices (SLs) of cubic rock-salt ScN and YN nitrides have been investigated using the first-principle full potential linear muffin-tin orbital (FPLMTO) method based on local-density approximation (LDA) and generalized gradient approximation (GGA96). The structural parameters as well as the electronic structures of these systems have been calculated and in the light of them, fundamental direct band gaps are expected, instead of the fact that ScN and YN are indirect band gap semiconductors.
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