Phonon and phonon-related properties of MgSiN<inf>2</inf>and MgGeN<inf>2</inf>ceramics: First principles studies

• Main Authors: Sittichain Pramchu, Atchara Punya Jaroenjittichai, Yongyut Laosiritaworn
• 格式: 雜誌
• 出版: 2018
• 主題: Materials Science; Agricultural and Biological Sciences
• 在線閱讀: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85019728607&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/46525

© 2017 Elsevier Ltd and Techna Group S.r.l. In this work, we used density functional perturbation theory to calculate phonon frequencies, phonon dispersions, Born effective charges, infrared (IR) absorption, and Raman spectra of MgSiN 2 and MgGeN 2 . From the results, the values of phonon frequencie...