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

Bulletin of materials science

A A Ahmad¹  A M Alsaad¹ 

[1] Department of Physical Sciences, Jordan University of Science & Technology, P.O. Box 3030, Irbid 221100, Jordan$$Department of Physical Sciences, Jordan University of Science & Technology, P.O. Box 3030, Irbid 221100, JordanDepartment of Physical Sciences, Jordan University of Science & Technology, P.O. Box 3030, Irbid 221100, Jordan$$

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

DOI  :  

学科分类：材料工程

来源: Indian Academy of Sciences

【 摘 要 】

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 Sc_0.5Ga_0.5N 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 ð‘�?6₃/𝑚ð�?�ð�?��?(𝐷_6h) space group to a polar ð‘�?6₃𝑚ð�?��?(𝐶_6v) 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.

【 授权许可】

Unknown