Density functional theory investigation of Bi(Ga,Al)O3solid solution for high-performance lead-free piezoelectric materials

• Main Authors: Sittichain Pramchu, Yongyut Laosiritaworn
• Format: Journal
• Published: 2018
• Subjects: Materials Science; Physics and Astronomy
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84891808303&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/52695
• Institution: Chiang Mai University

In this work, we have investigated the ferroelectric property of BiAlxGa(1-x)O3with x = 0.00, 0.25, 0.50, 0.75, and 1.00 for replacement of the widely use, PZT which is toxic. The techniques used are density functional theory with local density approximation (LDA) as well as projector augmented-wave...