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We present a simple and efficient approximation to the electron-phonon scattering rate suitable for high-throughput screening of candidate materials for thermoelectric devices, based on electronic transport. The method is applied to…

Materials Science · Physics 2015-11-30 Georgy Samsonidze , Boris Kozinsky

Half-Heuslers are a promising family for thermoelectric (TE) applications, yet only a small fraction of their potential chemistries has been experimentally explored. In this work, we introduce a distinct computational high-throughput…

Materials Science · Physics 2025-01-22 Angela Pak , Kamil Ciesielski , Maria Wróblewska , Eric S. Toberer , Elif Ertekin

Thermoelectric effects, measured by the Seebeck coefficients, refer to the phenomena in which a temperature difference or gradient imposed across a thermoelectric material induces an electrical potential difference or gradient, and vice…

Materials Science · Physics 2018-12-05 Yi Wang , Yong-Jie Hu , Shun-Li Shang , Bi-Cheng Zhou , Zi-Kui Liu , Long-Qing Chen

The iron antimonide FeSb$_2$ possesses an extraordinarily high thermoelectric power factor at low temperature, making it a leading candidate for cryogenic thermoelectric cooling devices. However, the origin of this unusual behavior is…

Strongly Correlated Electrons · Physics 2018-08-15 C. C. Homes , Q. Du , C. Petrovic , W. H. Brito , S. Choi , G. Kotliar

A series of full-Heusler alloys, $\rm Fe_2V_{1-x}W_xAl$, $0 \leq x \leq 0.2$, was prepared, characterized and relevant physical properties to account for the thermoelectric performance were studied in a wide temperature range. Additionally,…

Materials Science · Physics 2020-08-19 B. Hinterleitner , P. Fuchs , J. Rehak , S. Steiner , M. Kishimoto , R. Moser , R. Podloucky , E. Bauer

Magneli phase Ti5O9 ceramics with 200-nm grain-size were fabricated by hot-pressing nanopowders of titanium and anatase TiO2 at 1223 K. The thermoelectric properties of these ceramics were investigated from room temperature to 1076 K. We…

Materials Science · Physics 2016-02-26 Sudeep Jung Pandey , Giriraj Joshi , Shidong Wang , Stefano Curtarolo , Romain Gaume

We report first principles LDA calculations of the electronic structure and thermoelectric properties of $\beta $-Zn$_{4}$Sb$_{3}$. The material is found to be a low carrier density metal with a complex Fermi surface topology and…

Materials Science · Physics 2009-10-30 Seong-Gon Kim , I. I. Mazin , D. J. Singh

Structural, electronic, and transport properties of ScNiSb, ScPdSb, and ScPtSb were investigated from first principles. Electronic band structures derived within the fully relativistic MBJLDA approach were compared with those obtained from…

Materials Science · Physics 2018-06-05 Maciej J. Winiarski , Kaja Bilinska , Kamil Ciesielski , Dariusz Kaczorowski

Searching for high-performance thermoelectric (TE) materials in the paradigm of narrow-bandgap semiconductors has lasted for nearly 70 years and is obviously hampered by a bottleneck of research now. Here we report on the discovery of a few…

Strongly Correlated Electrons · Physics 2022-10-11 Zirui Dong , Yubo Zhang , Jun Luo , Ying Jiang , Zhiyang Yu , Nan Zhao , Liusuo Wu , Yurong Ruan , Fang Zhang , Kai Guo , Jiye Zhang , Wenqing Zhang

The electronic and magnetic bulk properties of half-metallic Heusler alloys such as Co$_{2}$FeSi, Co$_{2}$FeAl, Co$_{2}$MnSi and Co$_{2}$MnAl are investigated by means of {\em ab initio} calculations in combination with Monte Carlo…

Materials Science · Physics 2013-11-11 Denis Comtesse , Benjamin Geisler , Peter Entel , Peter Kratzer , László Szunyogh

Tellurium (Te) is an intrinsically p-type doped narrow bandgap semiconductor with excellent electrical conductivity and low thermal conductivity. Bulk trigonal Te has been theoretically predicted and experimentally demonstrated to be an…

Thermoelectric materials can recover electrical energy from waste heat and vice versa, which are of great significance in green energy harvesting and solid state refrigerator. The thermoelectric figure of merit (zT) quantifies the energy…

Half-Heusler (HH) phases (space group F43m, Clb) are increasingly gaining attention as promising thermoelectric materials in view of their thermal stability, scalability, and environmental benignity as well as efficient power output. Until…

Materials Science · Physics 2016-08-24 L. Chen , X. Zeng , T. M. Tritt , S. J. Poon

To understand the unexpectedly high thermoelectric performance observed in the thin-film Heusler alloy Fe$_2$V$_{0.8}$W$_{0.2}$Al, we study the magnon drag effect, generated by the tungsten based impurity band, as a possible source of this…

Materials Science · Physics 2021-12-17 Hiroyasu Matsuura , Masao Ogata , Takao Mori , Ernst Bauer

In this first-principles study, we investigated the thermoelectric properties of the full-Heusler compound CsK$_2$Sb at different compressive strains. This material exhibits a valence band structure with significant effective mass…

Materials Science · Physics 2025-05-14 Øven A. Grimenes , G. Jeffrey Snyder , Ole M. Løvvik , Kristian Berland

The nematic instability of iron-based superconductors is an undebatable ingredient of the physics of iron-based superconductors. Yet, its origin remains enigmatic as it involves a fermiology with an intricate interplay of lattice-, orbital-…

We present the first thermoelectric measurements on pentacene field effect transistors. We report high values of the Seebeck coefficient at room temperature between 240 and 500 micro V/K depending on the dielectric surface treatment. These…

We propose a near-field inelastic thermoelectric heat engine where quantum-dots are used to effectively rectify the charge flow of photo-carriers. The device converts near-field heat radiation into useful electrical power. Heat absorption…

Mesoscale and Nanoscale Physics · Physics 2018-03-28 Jian-Hua Jiang , Yoseph Imry

The thermoelectric figure of merit ZT, which is defined using electrical conductivity, Seebeck coefficient, thermal conductivity, and absolute temperature T, has been widely used as a simple estimator of the conversion efficiency of a…

Applied Physics · Physics 2020-05-18 Byungki Ryu , Jaywan Chung , Eun-Ae Choi , Pawel Ziolkowski , Eckhard Müller , SuDong Park

Achieving low thermal conductivity and good electrical properties is a crucial condition for thermal energy harvesting materials. Nanostructuring offers a very powerful tool to address both requirements: in nanostructured materials,…

Mesoscale and Nanoscale Physics · Physics 2018-09-14 Giuseppe Romano , Jesús Carrete , Alexie M. Kolpak , David Broido