Ab initio phonon dispersions for PbTe

作者：An, Jiming; Subedi, Alaska; Singh, D. J.^*

来源：Solid State Communications, 2008, 148(9-10): 417-419.

DOI：10.1016/j.ssc.2008.09.027

• PbTe
• Phonons

We report first principles calculations of the phonon dispersions of PbTe both for its observed structure and under compression. At the experimental lattice parameter we find a near instability of the optic branch at the zone center, in accord with experimental observations. This hardens quickly towards the zone boundary. There is also a very strong volume dependence of this mode, which is rapidly driven away from an instability by compression. These results are discussed in relation to the thermal conductivity of the material.

• 出版日期2008-12
• 单位武汉理工大学