Thermal conductivity is one of the key properties for the application of phase change materials in nonvolatile memories. In this work we compute the mode Grüneisen parameters of the phase change compound GeTe by means of density-functional perturbation theory. The Grüneisen parameters are then used to estimate the bulk thermal conductivity with a phenomenological formula (Slack in Solid State Phys 34:1–71, 1979). This estimate is compared with the full solution of the Boltzmann Transport Equation we obtained in a previous work within the same theoretical framework. This comparison allowed us to validate the phenomenological formula also for the prototypical phase change compound GeTe.
Bosoni, E., Sosso, G., Bernasconi, M. (2017). Grüneisen parameters and thermal conductivity in the phase change compound GeTe. JOURNAL OF COMPUTATIONAL ELECTRONICS, 16(4), 997-1002 [10.1007/s10825-017-1040-5].
Grüneisen parameters and thermal conductivity in the phase change compound GeTe
Sosso, GC;Bernasconi, M.
2017
Abstract
Thermal conductivity is one of the key properties for the application of phase change materials in nonvolatile memories. In this work we compute the mode Grüneisen parameters of the phase change compound GeTe by means of density-functional perturbation theory. The Grüneisen parameters are then used to estimate the bulk thermal conductivity with a phenomenological formula (Slack in Solid State Phys 34:1–71, 1979). This estimate is compared with the full solution of the Boltzmann Transport Equation we obtained in a previous work within the same theoretical framework. This comparison allowed us to validate the phenomenological formula also for the prototypical phase change compound GeTe.
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