Deformation-potential-theory calculation of the acoustic-phonon-limited conductivity and Hall mobilities forp-type silicon

1983 ◽  
Vol 27 (4) ◽  
pp. 2605-2608 ◽  
Author(s):  
Frank Szmulowicz ◽  
Frank L. Madarasz
Keyword(s):  
Potential Theory ◽  
Acoustic Phonon ◽  
Deformation Potential ◽  
Type Silicon ◽  
Theory Calculation ◽  
Deformation Potential Theory

scholarly journals High-throughput prediction of the carrier relaxation time via data-driven descriptor

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Zizhen Zhou ◽  
Guohua Cao ◽  
Jianghui Liu ◽  
Huijun Liu
Keyword(s):  
Relaxation Time ◽  
Potential Theory ◽  
Three Dimensional ◽  
Training Data ◽  
Data Driven ◽  
Deformation Potential ◽  
Carrier Relaxation ◽  
Electron Phonon Coupling ◽  
Simple Deformation ◽  
Deformation Potential Theory

Abstract It has been demonstrated that many promising thermoelectric materials, such as tetradymite compounds are also three-dimensional topological insulators. In both cases, a fundamental question is the evaluation of carrier relaxation time, which is usually a rough task due to the complicated scattering mechanisms. Previous works using the simple deformation potential theory or considering complete electron-phonon coupling are, however, restricted to small systems. By adopting a data-driven method named SISSO (Sure Independence Screening and Sparsifying Operator) with the training data obtained via deformation potential theory, we propose an efficient and physically interpretable descriptor to evaluate the relaxation time, using tetradymites as prototypical examples. Without any input from first-principles calculations, the descriptor contains only several elemental properties of the constituent atoms, and could be utilized to quickly and reliably predict the carrier relaxation time of a substantial number of tetradymites with arbitrary stoichiometry.

scholarly journals LaPtSb: a half-Heusler compound with high thermoelectric performance

2016 ◽  
Vol 18 (27) ◽  
pp. 17912-17916 ◽  
Author(s):  
Q. Y. Xue ◽  
H. J. Liu ◽  
D. D. Fan ◽  
L. Cheng ◽  
B. Y. Zhao ◽  
...  
Keyword(s):  
Transport Properties ◽  
Potential Theory ◽  
First Principles ◽  
Thermoelectric Performance ◽  
Deformation Potential ◽  
First Principles Calculations ◽  
Heusler Compound ◽  
Deformation Potential Theory

The electronic and transport properties of the half-Heusler compound LaPtSb are investigated by performing first-principles calculations combined with semi-classical Boltzmann theory and deformation potential theory.

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