DFT band alignment of polar and nonpolar GaN/MgGeN<inf>2</inf>, ZnO/MgGeN<inf>2</inf> and GaN/ZnO heterostructures for optoelectronic device design

• Main Authors: Chaiyawat Kaewmeechai, Yongyut Laosiritaworn, Atchara Punya Jaroenjittichai
• 格式: 雜誌
• 出版: 2020
• 主題: Chemistry; Materials Science; Physics and Astronomy
• 在線閱讀: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85089524625&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/70355

© 2020 Elsevier B.V. We calculated the band alignment among MgGeN2, ZnO and GaN compounds using density functional theory (DFT) calculations. The norm-conserving pseudopotentials approach was performed to determine the band gap of each compound. The band offsets at the interfaces of GaN/MgGeN2 and Z...