Computational study of phonon scattering induced by dislocations

Recent experiments showed dislocation-phonon interaction is important to enhance thermo-electric properties of materials. But the basic understanding of this interaction is far from satisfactory. Here, thermal conductance and phonon spectrum are carried out computationally for sample with dislocations, particularly for materials Fe and PbTe, attributed to the core and strain field of the dislocation. We find that the scattering is not limited to the traditional high frequency, but also is significant to phonon with medium frequency. Moreover, detailed analysis demonstrates how the dislocation interact with the eigen vibration mode of the material.