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Phys Rev Lett. 2003 Jun 27;90(25 Pt 1):257602. Epub 2003 Jun 25.

Strained hexagonal ScN: a material with unusual structural and optical properties.

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  • 1Physics Department, University of Arkansas, Fayetteville, Arkansas 72701, USA.


Local-density approximation calculations are performed to predict properties of compressively strained hexagonal ScN. This material is found to exhibit a large electromechanical response, a structural phase transition from a nonpolar to a polar structure, and a variation of the band gap in the entire visible light range when continuously changing the compressive strain. Microscopic effects responsible for these anomalies are revealed and discussed. Suggestions on how to practically grow ScN-based materials having such unusual properties are also provided.

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