Physics Commons^™

Strain And Stress Relationships For Optical Phonon Modes In Monoclinic Crystals With Β-Ga2O3 As An Example, Rafal Korlacki, Megan Stokey, Alyssa Lynn Mock, Sean Knight, Alexis Papamichail, Vanya Darakchieva, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

Strain-stress relationships for physical properties are of interest for heteroepitaxial material systems, where strain and stress are inherent due to thermal expansion and lattice mismatch. We report linear perturbation theory strain and stress relationships for optical phonon modes in monoclinic crystals for strain and stress situations which maintain the monoclinic symmetry of the crystal. By using symmetry group analysis and phonon frequencies obtained under various deformation scenarios from density-functional perturbation theory calculations on β-Ga₂O₃, we obtain four strain and four stress potential parameters for each phonon mode. We demonstrate that these parameters are sufficient to …