Phoebe: a high-performance framework for solving phonon and electron Boltzmann transport equations

Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors, and energy conversion devices. Computational modeling can accurately predict material properties but, in order to be reliable, requires accurate descriptions of electron and...

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Veröffentlicht in:	JPhys materials 2022-07, Vol.5 (3), p.35003
Hauptverfasser:	Cepellotti, Andrea, Coulter, Jennifer, Johansson, Anders, Fedorova, Natalya S, Kozinsky, Boris
Format:	Artikel
Sprache:	eng
Schlagworte:	Boltzmann transport equation Computing costs Distributed memory electron transport electron–phonon interaction Energy conversion Energy spectra First principles Material properties MATERIALS SCIENCE Phonons phonon–phonon interaction Scattering Source code thermal transport thermoelectrics Transport properties
Online-Zugang:	Volltext
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