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The electronic structure and thermoelectric properties of ZrRuTe-based Half-Heusler compounds are studied using density functional theory (DFT) and Boltzmann transport formalism. Based on rigorous computations of electron relaxation time…

材料科学 · 物理学 2020-03-13 Sonu Prasad Keshri , Amal Medhi

In the present work, we show the importance of temperature dependent energy band gap, E$_{g}$(T), in understanding the high temperature thermoelectric (TE) properties of material by considering LaCoO$_{3}$ (LCO) and ZnV$_{2}$O$_{4}$ (ZVO)…

强关联电子 · 物理学 2016-10-21 Saurabh Singh , Sudhir K. Pandey

We show that a molecular junction can give large values of the thermoelectric figure of merit $ZT$, and so could be used as a solid state energy conversion device that operates close to the Carnot efficiency. The mechanism is similar to the…

介观与纳米尺度物理 · 物理学 2009-11-13 Padraig Murphy , Subroto Mukerjee , Joel Moore

Sadi Carnot's theorem regarding the maximum efficiency of heat engines is considered to be of fundamental importance in thermodynamics. This theorem famously states that the maximum efficiency depends only on the temperature of the heat…

量子物理 · 物理学 2019-08-21 Mischa P. Woods , Nelly Ng , Stephanie Wehner

We investigate the thermoelectric properties of ${\beta}$-FeSi$_{\text2}$ using first principles electronic structure and Boltzmann transport calculations. We report a high thermopower for both \textit{p}- and \textit{n}-type…

材料科学 · 物理学 2015-06-17 Tribhuwan Pandey , David J. Singh , David Parker , Abhishek K. Singh

With the goal of maximizing the thermoelectric (TE) figure of merit $ZT$, Mahan and Sofo [Proc. Natl. Acad. Sci. U.S.A. 93, 7436 (1996)] found that the optimal transport distribution (TD) is a delta function. Materials, however, have TDs…

材料科学 · 物理学 2022-09-13 Jesse Maassen

The process of deriving an interatomic potentials represents an attempt to integrate out the electronic degrees of freedom from the full quantum description of a condensed matter system. In practice it is the derivatives of the interatomic…

材料科学 · 物理学 2016-06-23 G. J. Ackland

Dimensionless thermoelectric figure of merit $ZT$ is investigated for two-dimensional organic conductors $\tau-(EDO-S,S-DMEDT-TTF)_2(AuI_2)_{1+y}$, $\tau$-(EDT-S,S-DMEDT-TTF)_2(AuI_2)_{1+y}$ and $\tau$-(P-S,S-DMEDT-TTF)_2(AuI_2)_{1+y}$ ($y…

材料科学 · 物理学 2015-05-18 H. Yoshino , H. Aizawa , K. Kuroki , G. C. Anyfantis , G. C. Papavassiliou , K. Murata

For $\beta$-$\mathrm{Ga_2O_3}$ only little information exist concerning the thermal properties, especially the thermal conductivity $\lambda$. Here, the thermal conductivity is measured by applying the electrical 3$\omega$-method on…

材料科学 · 物理学 2015-02-10 Martin Handwerg , Rüdiger Mitdank , Zbigniew Galazka , Saskia F. Fischer

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…

强关联电子 · 物理学 2015-05-19 E. D. Mun , S. Jia , S. L. Bud'ko , P. C. Canfield

Defects are crucial in determining the overall physical properties of semiconductors. Generally, the charge-state transition level (TEL), one of the key physical quantities that determines the dopability of defects in semiconductors, is…

材料科学 · 物理学 2022-03-23 Shuang Qiao , Yu-Ning Wu , Xiaolan Yan , Bartomeu Monserrat , Su-Huai Wei , Bing Huang

The optimal design of power converters requires accurate knowledge of the dissipation elements of its system to achieve the desired performance and security requirements. Calorimetric methods have surpassed classical electrical methods for…

系统与控制 · 电气工程与系统科学 2023-11-06 Jose Miguel Sanz-Alcaine , Eduardo Sebastian , Francisco Jose Perez-Cebolla , Asier Arruti , Carlos Bernal-Ruiz , Iosu Aizpuru

Thermoelectric effects through a serial double quantum dot system weakly coupled to ferromagnetic leads are analyzed. Formal expressions of electrical conductance, thermal conductance, and thermal coefficient are obtained by means of…

介观与纳米尺度物理 · 物理学 2012-04-18 M. Bagheri Tagani , H. Rahimpour Soleimani

We calculate the thermomechanical properties of $\alpha$-iron, and in particular its isothermal and adiabatic elastic constants, using first-principles total-energy and lattice-dynamics calculations, minimizing the quasi-harmonic…

材料科学 · 物理学 2015-06-23 Daniele Dragoni , Davide Ceresoli , Nicola Marzari

We review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by…

介观与纳米尺度物理 · 物理学 2017-04-26 F. G. Eich , M. Di Ventra , G. Vignale

The paper introduces and analyzes a new characteristic of thermoelectric composites - their intrinsic figure of merit characterizing the influence of thermoelectric phenomena on the effective properties of composites and governing thermal…

材料科学 · 物理学 2007-05-23 A. A Snarskii , G. V. Adzhigai , I. V. Bezsudnov

Thermoelectric (TE) materials are among very few sustainable yet feasible energy solutions of present time. This huge promise of energy harvesting is contingent on identifying/designing materials having higher efficiency than presently…

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…

材料科学 · 物理学 2018-08-01 Hong-Jie Pang , Chen-Guang Fu , Hao Yu , Liu-Cheng Chen , Tie-Jun Zhu , Xiao-Jia Chen

We theoretically investigate the thermoelectric properties of heat engines based on Mach-Zehnder interferometers. The energy dependence of the transmission amplitudes in such setups arises from a difference in the interferometer arm…

介观与纳米尺度物理 · 物理学 2017-02-01 Patrick P. Hofer , Björn Sothmann

The bilayers of Transition Edge Sensors (TESs) are often modified with additional normal-metal features such as bars or dots. Previous device measurements suggest that these features improve performance, reducing electrical noise and…

天体物理仪器与方法 · 物理学 2017-08-02 Rebecca C. Harwin , David J. Goldie , Stafford Withington