Lattice Dynamics and Specific Heat of $α$ - GeTe: a theoretical and experimental study - Condensed Matter > Materials ScienceReport as inadecuate




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Abstract: We extend recent \textit{ab initio} calculations of the electronic bandstructure and the phonon dispersion relations of rhombohedral GeTe tocalculations of the density of phonon states and the temperature dependentspecific heat. The results are compared with measurements of the specific heat.It is discovered that the specific heat depends on hole concentration, not onlyin the very low temperature region Sommerfeld term but also at the maximum of$C p-T^3$ around 16 K. To explain this phenomenon, we have performed\textit{ab initio} lattice dynamical calculations for GeTe rendered metallicthrough the presence of a heavy hole concentration $p$ $\sim$ 2$\times$10$^{21}$ cm$^{-3}$. They account for the increase observed in the maximum of$C p-T^3$.



Author: R. Shaltaf, X. Gonze, M. Cardona, R. K. Kremer, G. Siegle

Source: https://arxiv.org/



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