• Structural phase transitions and piezoelectric anomalies in ordered Sc0.5Ga0.5N alloys

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      https://www.ias.ac.in/article/fulltext/boms/030/04/0407-0413

    • Keywords

       

      Phase transitions; piezoelectric coefficients; ordered Sc0.5Ga0.5N alloys.

    • Abstract

       

      Local-density approximation calculations (LDA) within density functional theory (DFT) and Berry phase approach within modern theory of polarization are performed to predict the structural and piezoelectric properties of ordered Sc0.5Ga0.5N alloys under compressive and tensile in-plane strain. This alloy is found to exhibit a tremendous piezoelectric response, associated with a phase transition from nonpolar 𝑝63/𝑚𝑐𝑐(𝐷6h) space group to a polar 𝑝63𝑚𝑐(𝐶6v) structure, at fixed Ga and Sc compositions when continuously changing the experimental accessible parameters (i.e. the compressive and tensile strain). The mechanism of the effects behind such anomalous behaviour is revealed and explained.

    • Author Affiliations

       

      A M Alsaad1 A A Ahmad1

      1. Department of Physical Sciences, Jordan University of Science & Technology, P.O. Box 3030, Irbid 221100, Jordan
    • Dates

       
  • Bulletin of Materials Science | News

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