Anisotropy Effects on the Thermoelectric Electronic Transport Coefficients

2015 ◽  
Vol 2 (1-2) ◽  
Author(s):  
Nicholas A. Mecholsky ◽  
Bothina Hamad ◽  
Lorenzo Resca ◽  
Ian L. Pegg ◽  
Marco Fornari
Keyword(s):  
Power Generation ◽  
Band Structure ◽  
Effective Mass ◽  
Critical Points ◽  
Electronic Transport ◽  
Transport Coefficients ◽  
Relative Orientation ◽  
Band Structures ◽  
Full Band

AbstractEngineering thermoelectric (TE) materials for applications in power generation and cooling requires an understanding of how anisotropy influences the TE properties. In this paper we use an angular-dependent, multivalley formalism to model the band structure and to explore the effect of anisotropy on the Seebeck and conductivity tensors. Specifically we explore the effect of degeneracy and relative orientation of the effective mass ellipsoids near critical points on the shape of these tensors. Examples of these types of anisotropic effects are explored within the above formalism and with the full band structures of two materials: half-Heusler ZrNiSn and (Sr,Ba)Nb

Prediction of high thermoelectric potential in AMN2 layered nitrides: electronic structure, phonons, and anharmonic effects

2015 ◽  
Vol 3 (18) ◽  
pp. 9945-9954 ◽  
Author(s):  
Rabih Al Rahal Al Orabi ◽  
Esther Orisakwe ◽  
Daehyun Wee ◽  
Bruno Fontaine ◽  
Régis Gautier ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Transport ◽  
Transport Coefficients ◽  
Vibrational Properties ◽  
Band Structures ◽  
Anharmonic Effects

Band structures, electronic transport coefficients, harmonic and anharmonic vibrational properties of novel layered nitrides have been studied to evaluate the potential for thermoelectric applications.

scholarly journals On Landauer versus Boltzmann and full band versus effective mass evaluation of thermoelectric transport coefficients

2010 ◽  
Vol 107 (2) ◽  
pp. 023707 ◽  
Author(s):  
Changwook Jeong ◽  
Raseong Kim ◽  
Mathieu Luisier ◽  
Supriyo Datta ◽  
Mark Lundstrom
Keyword(s):  
Effective Mass ◽  
Transport Coefficients ◽  
Thermoelectric Transport ◽  
Full Band

Effect of Electron-Phonon Coupling on Transport Properties of Monolayers of ZrS2, BiI3 and PbI2: A thermoelectric Perspective

2021 ◽  
Author(s):  
Gautam Sharma ◽  
Vineet Kumar Pandey ◽  
Shouvik Datta ◽  
Prasenjit Ghosh
Keyword(s):  
Relaxation Time ◽  
Band Structure ◽  
Transport Properties ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Waste Heat ◽  
Transport Coefficients ◽  
Electrical Energy ◽  
Phonon Coupling ◽  
Electron Phonon Coupling

Thermoelectric materials are used for conversion of waste heat to electrical energy. The transport coefficients that determine their thermoelectric properties depend on the band structure and the relaxation time of...

Band Structure and Optical Gain of 1.3 um GaAsSbN/GaAs Compressively Strained Quantum Well Laser

2007 ◽  
Vol 31 ◽  
pp. 95-97
Author(s):  
B. Dong ◽  
W.J. Fan ◽  
Y.X. Dang
Keyword(s):  
Band Structure ◽  
Quantum Well ◽  
Optical Gain ◽  
Band Structures ◽  
Quantum Well Laser ◽  
Suitable Combination ◽  
Gain Spectra ◽  
Strained Quantum Well

The band structures and optical gain spectra of GaAsSbN/GaAs compressively strained quantum well (QW) were studied using 10-band k.p approach. We found that a higher Sb and N composition in the quantum well and a thicker well give longer emitting wavelength. The result also shows a suitable combination of Sb and N composition, and QW thickness can achieve 1.3 μm lasing. And, the optical gain spectra with different carrier concentrations will be obtained.

Longitudinal effective mass and band structure of quasiperiodic Fibonacci superlattices

1999 ◽  
Vol 59 (3) ◽  
pp. 2057-2062 ◽  
Author(s):  
A. Bruno-Alfonso ◽  
F. J. Ribeiro ◽  
A. Latgé ◽  
L. E. Oliveira
Keyword(s):  
Band Structure ◽  
Effective Mass

Electronic transport coefficients in plasmas using an effective energy-dependent electron-ion collision-frequency

2017 ◽  
Vol 24 (10) ◽  
pp. 102701
Author(s):  
G. Faussurier ◽  
C. Blancard ◽  
P. Combis ◽  
A. Decoster ◽  
L. Videau
Keyword(s):  
Electronic Transport ◽  
Collision Frequency ◽  
Transport Coefficients ◽  
Effective Energy ◽  
Energy Dependent ◽  
Ion Collision

scholarly journals Accurate Prediction of Band Structure of FeS2: A Hard Quest of Advanced First-Principles Approaches

2021 ◽  
Vol 9 ◽  
Author(s):  
Min-Ye Zhang ◽  
Hong Jiang
Keyword(s):  
Band Structure ◽  
First Principles ◽  
High Energy ◽  
Accurate Prediction ◽  
Band Gaps ◽  
Full Potential ◽  
Band Structures ◽  
Electronic Band ◽  
Fundamental Band ◽  
Hybrid Functionals

The pyrite and marcasite polymorphs of FeS2 have attracted considerable interests for their potential applications in optoelectronic devices because of their appropriate electronic and optical properties. Controversies regarding their fundamental band gaps remain in both experimental and theoretical materials research of FeS2. In this work, we present a systematic theoretical investigation into the electronic band structures of the two polymorphs by using many-body perturbation theory with the GW approximation implemented in the full-potential linearized augmented plane waves (FP-LAPW) framework. By comparing the quasi-particle (QP) band structures computed with the conventional LAPW basis and the one extended by high-energy local orbitals (HLOs), denoted as LAPW + HLOs, we find that one-shot or partially self-consistent GW (G0W0 and GW0, respectively) on top of the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation with a converged LAPW + HLOs basis is able to remedy the artifact reported in the previous GW calculations, and leads to overall good agreement with experiment for the fundamental band gaps of the two polymorphs. Density of states calculated from G0W0@PBE with the converged LAPW + HLOs basis agrees well with the energy distribution curves from photo-electron spectroscopy for pyrite. We have also investigated the performances of several hybrid functionals, which were previously shown to be able to predict band gaps of many insulating systems with accuracy close or comparable to GW. It is shown that the hybrid functionals considered in general fail badly to describe the band structures of FeS2 polymorphs. This work indicates that accurate prediction of electronic band structure of FeS2 poses a stringent test on state-of-the-art first-principles approaches, and the G0W0 method based on semi-local approximation performs well for this difficult system if it is practiced with well-converged numerical accuracy.

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