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Metals have high electronic conductivities, but very low Seebeck coefficients, which traditionally make them unsuitable for thermoelectric materials. Recent studies, however, showed that metals can deliver ultra-high thermoelectric power…

Thermoelectric materials intrigue much interest due to their wide range of application such as power generators and refrigerators. The efficiency of thermoelectric materials is quantified by the figure of merit, and a figure greater than…

Mesoscale and Nanoscale Physics · Physics 2022-02-16 Masashi Hosoi , Ikuma Tateishi , Hiroyasu Matsuura , Masao Ogata

In principle thermoelectricity is a viable route of converting waste heat into electricity, but the commercialization of the technology is limited by its present efficiency. In quest of improved materials, utilizing an \textit{ab initio}…

As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…

Mesoscale and Nanoscale Physics · Physics 2011-04-11 Neophytos Neophytou , Hans Kosina

The effect of interface scattering on the performance of disordered, nanocomposite thermoelectric materials is studied theoretically using effective medium theory and direct numerics. The interfacial electronic and phonon scattering…

Mesoscale and Nanoscale Physics · Physics 2012-02-24 Paul M. Haney

In the quest for novel thermoelectric materials to harvest waste environmental heat, we investigate alkali metal-based Zintl phases X$_2$AgY (X = Na, K, and Y = Sb, Bi) utilizing first-principles methods. We obtain significantly low lattice…

Materials Science · Physics 2025-11-03 Mohd Zeeshan , Indranil Mal , B K Mani

Herein, we report the use of nanostructured crystalline Si as a thermoelectric material and its integration into thermoelectric harvesters. The proof-of-concept relies on the partial suppression of lattice thermal transport by introducing…

Black phosphorous (BP) is one of the most interesting layered materials, bearing promising potential for emerging electronic and optoelectronic device technologies. The crystalline structure of BP displays in-plane anisotropy in addition to…

We report on S-doping of ZnSb for S concentrations ranging from 0.02 at% to 2.5 at%. There are no previous reports on S-doping. ZnSb is a thermoelectric material with some advantages for the temperature range 400 K - 600 K. The solid…

Materials Science · Physics 2017-09-11 X. Song , T. G. Finstad

We investigated the electrical conductivity, thermal conductivity and thermopower as a function of Nb content (x) in Ba0.7Eu0.3Ti1-xNbxO3 (x = 0.001- 0.10) in the temperature range T = 400-2 K. The substitution of Nb destabilizes the…

Materials Science · Physics 2018-02-20 KmRubi , R. Mahendiran

In the past decade, it has been demonstrated that monolayers of metal dichalcogenides are well-suited for thermoelectric applications. ZrX2N4 (X = Si, Ge) is a reasonable choice for thermoelectric applications when considering a favorable…

Materials Science · Physics 2024-08-09 Chayan Das , Dibyajyoti Saikia , Satyajit Sahu

The thermoelectric figure of merit of the Heusler alloy TiFe$_{1.5}$Sb was investigated by first-principles calculations of lattice thermal conductivity. The electronic thermal conductivity, electrical conductivity, and Seebeck coefficient…

Materials Science · Physics 2025-05-27 Rifky Syariati , Athorn Vora-ud , Fumiyuki Ishii , Tosawat Seetawan

The thermoelectric power, $S(T)$, of the heavy fermions YbT$_{2}$Zn$_{20}$ ($T$ = Fe, Ru, Os, Ir, Rh, and Co) has been measured to characterize their strong electronic correlations. A large, negative, local minimum in $S(T)$ with…

Strongly Correlated Electrons · Physics 2015-05-19 E. D. Mun , S. Jia , S. L. Bud'ko , P. C. Canfield

We report optical enhancement in polarization and dielectric constant near room temperature in Pb0.6Li0.2Bi0.2Zr0.2Ti0.8O3 (PLBZT) electro-ceramics; these are doubly substituted members of the most important commercial ferroelectric…

Materials Science · Physics 2017-06-27 Hitesh Borkar , Vaibhav Rao , M Tomar , Vinay Gupta , J. F. Scott , Ashok Kumar

To increase the performance of thermoelectric materials, the electronic parameters in the figure of merit must be improved. In this paper, we use full, numerical band structures and solve the Boltzmann equation in the relaxation time…

Materials Science · Physics 2018-12-17 Evan Witkoske , Xufeng Wang , Jesse Maassen , Mark Lundstrom

Silicon is one of the most frequently used chemical elements of the periodic table in nanotechnology. Two-dimensional (2D) silicene, a silicon analog of graphene, has been readily obtained to make field-effect transistors since 2015.…

Materials Science · Physics 2020-03-13 Zhibin Gao , Jian-Sheng Wang

We study the electronic transport coefficients and the thermoelectric figure of merit ZT in $n$-doped Mg$_3$Sb$_2$ based on density-functional electronic structure and Bloch-Boltzmann transport theory with an energy- and…

Materials Science · Physics 2019-01-07 Roberta Farris , Maria Barbara Maccioni , Alessio Filippetti , Vincenzo Fiorentini

Thermoelectricity is the direct conversion of temperature gradient to electric voltage, and vice-versa. There are several potential applications of thermoelectricity, ranging from clean noiseless cooling, to waste-power harvesting in…

Materials Science · Physics 2014-03-18 Yehea Ismail , Ahmed Alaskalany

Polycrystalline lead-free Ba$_{0.85}$Ca$_{0.15}$Zr$_{0.10}$Ti$_{0.90}$O$_3$ (BCZT), BaTi$_{0.89}$Sn$_{0.11}$O$_3$ (BTSn) and 0.4Ba$_{0.85}$Ca$_{0.15}$Zr$_{0.10}$Ti$_{0.90}$O$_3$-0.6BaTi$_{0.89}$Sn$_{0.11}$O$_3$ (0.4BCZT-0.6BTSn)…

Materials Science · Physics 2023-06-13 S. Khardazi , H. Zaitouni , A. Neqali , S. Lyubchyk , D. Mezzane , M. Amjoud , E. Choukri , S. Lyubchyk , Z. Kutnjak

Phosphorene has attracted tremendous interest recently due to its intriguing electronic properties. However, the thermal transport properties of phosphorene, especially for its allotropes, are still not well-understood. In this work, we…

Mesoscale and Nanoscale Physics · Physics 2016-04-08 J. Zhang , H. J. Liu , L. Cheng , J. Wei , J. H. Liang , D. D. Fan , P. H. Jiang , J. Shi