This paper proposes an efficient and physically interpretable descriptor to evaluate the carrier relaxation time in tetradymite compounds, using a data-driven method named SISSO. The descriptor, derived from deformation potential theory, uses only elemental properties of constituent atoms and predicts relaxation time reliably for a large number of tetradymites with arbitrary stoichiometry, without requiring first-principles calculations.
Publisher
npj Computational Materials
Published On
Oct 08, 2020
Authors
Zizhen Zhou, Guohua Cao, Jianghui Liu, Huijun Liu
Tags
carrier relaxation time
tetradymite compounds
data-driven method
descriptor
deformation potential theory
elemental properties
stoichiometry
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