Photoelasticity of α-quartz from first principles
Abstract
Using density-functional perturbation theory with a scissor correction, we compute the entire photoelastic tensor of α-quartz. Its components, whose absolute values range between 0.047 and 0.29 are all described within 0.04. We also compute the Born effective charge tensor and present its variation with respect to strain, as well as the relative deformation potentials and the structural rearrangement caused by strain. Then, we discuss briefly the mechanisms involved in the photoelasticity of quartz.
- Publication:
-
Physical Review B
- Pub Date:
- March 2001
- DOI:
- 10.1103/PhysRevB.63.115118
- Bibcode:
- 2001PhRvB..63k5118D
- Keywords:
-
- 78.20.Bh;
- 78.20.Fm;
- 78.20.Hp;
- 77.22.-d;
- Theory models and numerical simulation;
- Birefringence;
- Piezo- elasto- and acoustooptical effects;
- photoacoustic effects;
- Dielectric properties of solids and liquids