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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

We report the thermoelectric (TE) properties of Na$_{0.74}$Co$_{0.95}$Nb$_{0.05}$O$_{2}$ in the temperature range $300-1200$ K, as a potential candidate for p-type thermoelectric material. The experimental values of Seebeck coefficient (S)…

Strongly Correlated Electrons · Physics 2019-11-18 Arzena Khatun , Shamim Sk , Jayashree Pati , R. S. Dhaka , Sudhir K. Pandey

We investigated thermoelectric power $S(T)$ of MgB$_{2-x}$Be$_{x}$ ($x=0$, 0.2, 0.3, 0.4, and 0.6). $S(T)$ decreases systematically with $x$, suggesting that the hole density increases. Our band calculation shows that the increase occurs in…

Superconductivity · Physics 2009-11-07 J. S. Ahn , E. S. Choi , W. Kang , D. J. Singh , E. J. Choi

The Hall and Seebeck coefficients, electrical resistivity and thermal conductivity of polycrystalline NiSi3P4 were characterized from 2 to 775K. Undoped NiSi3P4 behaves like a narrow gap semiconductor, with activated electrical resistivity…

Materials Science · Physics 2013-03-18 Andrew F. May , Michael A. McGuire , Hsin Wang

On the basis of density functional theory (DFT) calculations thermoelectric properties are derived for Sb-doped skutterudites MPt$_4$Ge$_{12-x}$Sb$_x$ with M=Ba,La,Th. It is predicted that the originally very small absolute values of…

Materials Science · Physics 2012-07-06 M. X. Chen , R. Podloucky , S. Humer , E. Bauer , P. Rogl

Thermoelectric properties of the chemically-doped intermetallic narrow-band semiconductor FeGa3 are reported. The parent compound shows semiconductor-like behavior with a small band gap (Eg = 0.2 eV), a carrier density of ~ 10(18) cm-3 and,…

The record-breaking thermoelectric performance of tin selenide (SnSe) has motivated the investigation of analogue compounds with the same structure. A promising candidate that emerged recently is germanium selenide (GeSe). Here, using…

Materials Science · Physics 2022-02-15 Anderson S. Chaves , Daniel T. Larson , Efthimios Kaxiras , Alex Antonelli

We present a detailed study of the charge transport, optical reflectivity, and thermal transport properties of n-type PbSe crystals. A strong scattering, mobility-limiting mechanism was revealed to be at play at temperatures above 500 K.…

Thermoelectric devices that utilize the Seebeck effect convert heat flow into electrical energy and are highly desirable for the development of portable, solid state, passively-powered electronic systems. The conversion efficiencies of such…

Materials Science · Physics 2015-01-06 Ruixiang Fei , Alireza Faghaninia , Ryan Soklaski , Jia-An Yan , Cynthia Lo , Li Yang

The potential of Fe2TiSn full-Heusler compounds for thermoelectric applications has been suggested theoretically, but not yet grounded experimentally, due to the difficulty of obtaining reproducible, homogeneous, phase pure and defect free…

The electronic properties of the layered black phosphorus (black-P) and its monolayer counterpart phosphorene are investigated by using the first-principles calculations based on the density functional theory (DFT). The room-temperature…

Materials Science · Physics 2014-04-22 H. Y. Lv , W. J. Lu , D. F. Shao , Y. P. Sun

We have systematically grown large single crystals of layered compound beta-PdBi2, both the hole-doped PdBi2-xPbx and the electron-doped NaxPdBi2, and studied their magnetic and transport properties. Hall-effect measurement on PdBi2,…

Superconductivity · Physics 2016-02-16 Kui Zhao , Bing Lv , Yu-Yi Xue , Xi-Yu Zhu , Liangzi Deng , Zheng Wu , C. W. Chu

Using the density functional theory (DFT) in combination with Boltzmann transport theory, the influence of Mg concentrations (x) doping on the thermoelectric properties of Hg1-xMgxSe ternary alloys was systematically investigated. The…

Materials Science · Physics 2023-03-28 Y. Selmani , H. Labrim , A. Jabar , L. Bahmad

A half-Heusler material FeNb$_{0.8}$Ti$_{0.2}$Sb has been identified as a promising thermoelectric material due to its excellent thermoelectric performance at high temperatures. The origins of the efficient thermoelectric performance are…

Materials Science · Physics 2018-08-01 Hong-Jie Pang , Chen-Guang Fu , Hao Yu , Liu-Cheng Chen , Tie-Jun Zhu , Xiao-Jia Chen

Temperature dependent thermoelectric power (TEP) data on Ba(Fe1-xTMx)2As2 (TM = Co and Cu), complemented by the Hall coefficient data on the samples from the same batches, have been measured. For Co-doping we clearly see a change in the…

Superconductivity · Physics 2015-05-13 Eun Deok Mun , Sergey L. Bud'ko , Ni Ni , Paul C. Canfield

We report a strategy based on introduction of point defects for improving the thermoelectric properties of FeSb2, a promising candidate for low temperature applications. Introduction of Sb deficiency to the tune of 20% leads to enhancement…

Materials Science · Physics 2015-05-01 Anup V. Sanchela , Ajay D. Thakur , C. V. Tomy

The thermoelectric properties of polythiophene (PT) coupled to the Au (111) electrodes are studied based on density functional theory combined with nonequilibrium Green function formalism. Specially, the effect of Li and Cl adsorbents on…

Mesoscale and Nanoscale Physics · Physics 2018-04-04 Zahra Golsanamlou , Meysam Bagheri Tagani , Hamid Rahimpour Soleimani

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

Phase change materials based on Ge-Sb-Te alloys are widely explored for their potential in both memory devices and thermoelectric applications. In this study, films of Ge2Sb2Te5 (GST) doped with varying concentrations of Pb were prepared…

Materials Science · Physics 2026-03-27 M. Zhezhu , A. Vasil'ev , M. Yaprintsev , A. Musayelyan , E. Pilyuk , O. Ivanov

Heavily doped semiconductors are by far the most studied class of materials for thermoelectric applications in the past several decades. They have Seebeck coefficient values which are 2-3 orders of magnitude higher than metals, making them…

Materials Science · Physics 2019-09-11 Maxime Markov , Emad Rezaei , Safoura Nayeb Sadeghi , Keivan Esfarjani , Mona Zebarjadi