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The conventional understanding that a bandstructure that produces a Dirac delta function transport distribution (or transmission in the Landauer framework) maximizes the thermoelectric figure of merit, ZT, is revisited. Thermoelectric (TE)…

Materials Science · Physics 2015-05-27 Changwook Jeong , Raseong Kim , Mark Lundstrom

The search for new thermoelectric materials aims at improving their power and efficiency, as expressed by thermopower $S$ and figure of merit $ZT$. By considering a very general transport spectral function $W(E)$, expressions for $S$ and…

Materials Science · Physics 2018-04-10 Peter Zahn

The wave-like nature of electrons leads to the existence of upper bounds on the thermoelectric response of nanostructured devices [R. S. Whitney, Phys. Rev. Lett. 112, 130601 (2014); Phys. Rev. B 91, 115425 (2015)]. This fundamental result,…

Mesoscale and Nanoscale Physics · Physics 2022-08-24 Giuseppe Bevilacqua , Alessandro Cresti , Giuseppe Grosso , Guido Menichetti , Giuseppe Pastori Parravicini

Thermoelectric (TE) generators can directly convert heat into electricity, but their performance is often constrained by limited temperature gradients. Here it is shown that width-modulated metamaterials with constrictions and expansions…

Applied Physics · Physics 2025-09-08 Xanthippi Zianni

In this work, we try to understand the experimental thermoelectric (TE) properties of a ZrNiSn sample with DFT and semiclassical transport calculations using SCAN functional. SCAN and mBJ provide the same band gap $E_{g}$ of $\sim$0.54 eV.…

Strongly Correlated Electrons · Physics 2020-06-24 Shivprasad S. Shastri , Sudhir K. Pandey

Thermoelectric materials, which can convert waste heat to electricity or be utilized as solid-state coolers, hold promise for sustainable energy applications. However, optimizing thermoelectric performance remains a significant challenge…

Mesoscale and Nanoscale Physics · Physics 2025-04-25 Yang Xiao , Yuqi Liu , Zihan Tan Bohan Zhang , Ke Xu , Zheyong Fan , Shunda Chen , Shiyun Xiong , Haikuan Dong

Recent research on twisted bilayer graphene (TBG) uncovered that its twist-angle-dependent electronic structure leads to a host of unique properties, such as superconductivity, correlated insulating states, and magnetism. The flat bands…

Mesoscale and Nanoscale Physics · Physics 2021-03-29 Adithya Kommini , Zlatan Aksamija

A thermoelectric device is a heat engine that directly converts heat into electricity. Many materials with a high figure of merit ZT have been discovered in anticipation of a high thermoelectric efficiency. However, there has been a lack of…

Novel intrinsic two-dimensional materials have attracted many researchers' attention. The unusual transport and optical properties of these materials originate mainly from triangular lattices (TLs). Therefore, the application of energy…

Mesoscale and Nanoscale Physics · Physics 2020-09-25 David M T Kuo

The best thermoelectric materials are believed to be heavily doped semiconductors. The presence of a bandgap is assumed to be essential to achieve large thermoelectric power factor and figure of merit. In this work, we study HgTe as an…

Materials Science · Physics 2018-08-08 Maxime Markov , Xixiao Hu , Han-Chun Liu , Naiming Liu , Joseph Poon , Keivan Esfarjani , Mona Zebarjadi

Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials at high temperatures due to the reduction in the Seebeck coefficient and the introduction of an additional term to the thermal…

Materials Science · Physics 2019-03-27 Samuel Foster , Neophytos Neophytou

The effective transport coefficients and figure of merit ZT for anisotropic systems are derived from a macroscopic formalism. The full tensorial structure of the transport coefficients and the effect of the sample boundaries are included.…

Materials Science · Physics 2007-05-23 W. E. Bies , R. J. Radtke , H. Ehrenreich

We theoretically investigate the thermoelectric properties of semiconducting (gapped) materials by varying the degrees of polynomials in their energy dispersion relations, in which either the valence or conduction energy dispersion depends…

Understanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified bands and/or scattering models. In this study, we apply more…

Materials Science · Physics 2021-02-12 Junsoo Park , Yi Xia , Vidvuds Ozoliņš , Anubhav Jain

Thermoelectrics (TEs) are promising candidates for energy harvesting with performance quantified by figure of merit, $ZT$. To accelerate the discovery of high-$ZT$ materials, efforts have focused on identifying compounds with low thermal…

Materials Science · Physics 2026-04-28 Yifan Sun , Zhi Li , Tetsuya Imamura , Yuji Ohishi , Chris Wolverton , Ken Kurosaki

We consider the thermoelectric response of chaotic or disordered quantum dots in the limit of phase-coherent transport, statistically described by random matrix theory. We calculate the full distribution of the thermoelectric coefficients…

Mesoscale and Nanoscale Physics · Physics 2019-01-30 Robert S. Whitney , Keiji Saito

Thermoelectric properties of two-dimensional (2D) Dirac materials are calculated within linearized Boltzmann transport theory and relaxation time approximation. We find that the gapless 2D Dirac material exhibits poorer thermoelectric…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Eddwi H. Hasdeo , Lukas P. A. Krisna , Muhammad Y. Hanna , Bobby E. Gunara , Nguyen T. Hung , Ahmad. R. T. Nugraha

We investigate thermoelectric (TE) properties of two-dimensional materials possessing two Dirac bands (a Dirac band) and a nonlinear band within the three-(two-)band model using linearized Boltzmann transport theory and relaxation time…

Materials Science · Physics 2022-05-24 Andri Darmawan , Edi Suprayoga , Ahmad R. T. Nugraha , Abdullah A. AlShaikhi

The transport coefficients of disordered media are analyzed using direct numerical simulation and effective medium theory. The results indicate a range of materials parameters for which disorder leads to an enhanced power factor. This…

Materials Science · Physics 2015-03-19 Paul M. Haney

We calculate thermal transport in the Falicov-Kimball model on an infinite-coordination-number Bethe lattice. We perform numerical calculations of the thermoelectric characteristics and concentrate on finding materials parameters for which…

Strongly Correlated Electrons · Physics 2009-11-10 A. V. Joura , D. O. Demchenko , J. K. Freericks
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