Abstract
Using first-principles calculations, we investigate piezoelectricity in a wide range of binary wurtzite semiconductors. We find that piezoelectricity is intimately related to the bond character, e.g. the negative longitudinal piezoelectric effect (NLPE) tends to occur in covalent compounds. We further find a universal sign rule (negative clamped-ion term and positive internal-strain term) for piezoelectricity, and the NLPE occurs as a result of the domination of the former over the latter. Moreover, there exists an inverse linear correlation between the longitudinal and transverse piezoelectric coefficients. This work may offer a simple criterion for efficient computational screening of materials exhibiting the NLPE.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
