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The thermoelectric properties of halide perovskites $\mathrm{CsMI_3}$ (M=Sn and Pb) are investigated from a combination of first-principles calculations and semiclassical Boltzmann transport theory by considering both the electron and…

Materials Science · Physics 2016-05-31 San-Dong Guo , Jian-Li Wang

Temperature dependent electrical resistivity, crystal structure and heat capacity measurements reveal a resistivity drop and metal to semiconductor transition corresponding to first order structural phase transition near 400 K in Ca3Co4O9.…

Materials Science · Physics 2012-04-17 Tao Wu , Trevor A. Tyson , Haiyan Chen , Jianming Bai , Hsin Wang , Cherno Jaye

Owing high conductivity in microcrystalline thin-films, CsSnI3 perovskite is a promising semiconductor for thermoelectrics and optoelectronics. Rapid oxidation of thin-film and intrinsic lattice strain hinders stabilization of the device…

The series Li6.55+xGe0.05La3-xCaxZr1.75Ta0.25O12 ( x= 0, 0.05, 0.10, 0.15, 0.20 ) was prepared by conventional solid state reaction method with the sintering temperature of 10500C for 7.30 hr by substituting Ca at the La site to increase…

Materials Science · Physics 2024-01-05 Muktai Aote , A. V. Deshpande

Thermoelectrics (TE) materials manifest themselves in direct conversion of temperature differences to electric power and vice versa. Despite remarkable advances have been achieved in the past decades for various TE systems, the energy…

Materials Science · Physics 2017-07-11 Yanguang Zhou , Xiaojing Gong , Ben Xu , Ming Hu

High mobility phonon-glass semimetal $CuAgSe$ has shown promise in recent years as a potential low-temperature thermoelectric material. It exhibits reasonably strong thermoelectric performance as well as an extremely high carrier mobility,…

Materials Science · Physics 2016-10-19 P. Czajka , M. Yao , C. Opeil

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

Thermoelectric materials based on earth-abundant and non-toxic elements are very useful in cost-effective and eco-friendly waste heat management systems. The constituents of SrGaSnH are earth-abundant and non-toxic, thus we have chosen…

Materials Science · Physics 2022-05-10 Enamul Haque , Mizanur Rahaman

We present measurements of electrical resistivity, thermal conductivity and thermopower of polycrystalline Sr-doped LaCoO3 with composition La0.95Sr0.05CoO3. Our data show that the investigated compound exhibits a very respectable room…

Materials Science · Physics 2007-05-23 J. Androulakis , P. Migiakis , J. Giapintzakis

We report the thermoelectric properties of polycrystalline samples of Ca3Pb1-xBixO (x = 0, 0.1, 0.2) and Ca3SnO, both crystallizing in a cubic antiperovskite-type structure. The Ca3SnO sample shows metallic resistivity and its…

Materials Science · Physics 2020-06-12 Yoshihiko Okamoto , Akira Sakamaki , Koshi Takenaka

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…

Thermoelectric (TE) conversion technology, capable of transforming heat into electricity, is critical for sustainable energy solutions. Many promising TE materials contain rare or toxic elements, so the development of cost-effective and…

Computational Physics · Physics 2024-03-15 Xin Jin , Qiling Ou , Haoran Wei , Xianyong Ding , Fangyang Zhan , Rui Wang , Xiaolong Yang , Xuewei Lv , Peng Yu

beta-Ga2O3 is a wide bandgap semiconductor with electrical properties better than SiC and GaN which makes it promising for applications of next-generation power devices. However, the thermal conductivity of \b{eta}-Ga2O3 is more than one…

Using a combination of first-principles simulations, based on the density functional theory and Boltzmann's semiclassical theory, we have calculated the transport and thermoelectric properties of the half-metallic two dimensional electron…

The electronic structures of TixZrx/2CoPbxTex, TixZrx/2Hfx/2CoPbxTex (x = 0.5), and the parent compound TiCoSb were investigated using the full potential linearized augmented plane wave method. The thermoelectric transport properties of…

Materials Science · Physics 2018-05-23 Mukesh K. Choudhary , P. Ravindran

Crystallographic data and thermoelectric properties (from 240 K up to 380 K) of Yb3Co4Ge13, Yb3Co4Sn13 compounds and Yb2CeCo4Ge13 and Yb2.3La0.7Co4Ge13 solid solutions are reported. The Seebeck coefficients, electric resistance and thermal…

Materials Science · Physics 2012-11-28 A. V. Morozkin , V. Yu. Irkhin , V. N. Nikiforov

For simultaneously achieving the high-power factor and low lattice thermal conductivity of Si-Ge based thermoelectric materials, we employed, in this study, constructively modifying the electronic structure near the chemical potential and…

The new technology of energy conversion must be developed to ensure energy sustainability. Thermoelectric (TE) materials provide an effective means to solve the energy crisis. As a potential TE candidate, the TE properties of perovskite…

The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional theory using hybrid functionals facilitated by the $\mathbf{k}…

Materials Science · Physics 2020-01-08 Kristian Berland , Nina Shulumba , Olle Hellman , Clas Persson , Ole Martin Løvvik

The effects of various transition metal dopants on the electrical and thermal transport properties of Fe1-xMxSi alloys (M= Co, Ir, Os) are reported. The maximum thermoelectric figure of merit ZTmax is improved from 0.007 at 60 K for pure…

Strongly Correlated Electrons · Physics 2015-05-28 Brian C. Sales , Olivier Delaire , Michael A. McGuire , Andrew F. May
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