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We developed a theory of electric and thermoelectric conductivity of lightly doped SrTiO$_3$ in the non-degenerate region $k_B T \geq E_F$, assuming that the major source of electron scattering is their interaction with soft transverse…

其他凝聚态物理 · 物理学 2021-09-15 Kh. G. Nazaryan , M. V. Feigelman

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…

材料科学 · 物理学 2015-01-06 Ruixiang Fei , Alireza Faghaninia , Ryan Soklaski , Jia-An Yan , Cynthia Lo , Li Yang

We report a thermal transport study of IrSbSe, which crystallizes in a noncentrosymmetric cubic structure with the $P2_13$ space group and shows a narrow-gap semiconducting behavior. The large discrepancy between the activation energy for…

强关联电子 · 物理学 2022-11-08 Yu Liu , Milinda Abeykoon , Niraj Aryal , David Graf , Zhixiang Hu , Weiguo Yin , C. Petrovic

Valence electron count (VEC) 18 half-Heusler (hH) alloys are considered promising for high-temperature thermoelectric applications due to their high Seebeck coefficient, mechanical stability, and robustness. However, their relatively large…

材料科学 · 物理学 2026-04-02 Rajeev Ranjan

We have studied U_3Si_2 by means of the heat capacity, electrical resistivity, Seebeck and Hall effects, and thermal conductivity in the temperature range 2-300 K and in magnetic fields up to 9 T. All the results obtained point to…

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…

材料科学 · 物理学 2018-06-05 Maciej J. Winiarski , Kaja Bilinska , Kamil Ciesielski , Dariusz Kaczorowski

Antiperovskite materials are well known for their high thermoelectric performance and gained huge research interest. Here, we report the structural stability and transport properties of Sr$_3$AsN from a precise first-principles study. The…

材料科学 · 物理学 2022-05-10 Enamul Haque , M. Anwar Hossain

Electronic and transport properties of CuGaTe$_2$, a hole-doped ternary copper based chalcopyrite type semiconductor, are studied using calculations within the Density Functional Theory and solving the Boltzmann transport equation within…

材料科学 · 物理学 2014-01-08 Vijay Kumar Gudelli , V. Kanchana , G. Vaitheeswaran , A. Svane , N. E. Christensen

Thermoelectric materials operating at cryogenic temperatures are in high demand for efficient cooling and power generation in applications ranging from superconductors to quantum computing. The narrow band-gap semiconductor FeSb2, known for…

材料科学 · 物理学 2023-11-02 Deepak Gujjar , Sunidhi Gujjar , V. K. Malik , Hem C. Kandpal

Two-dimensional group IV transition-metal dichalcogenides have encouraging thermoelectric applications since their electronic and lattice properties can be manipulated with strain. In this paper, we report the thermoelectric parameters such…

材料科学 · 物理学 2020-01-29 Ransell D'Souza , Sugata Mukherjee , Sohail Ahmad

We report the effect of co-doping of In and Ga at low concentrations on the structural, electronic, and thermoelectric properties of SnTe based compositions $Sn_{1.03-2x}In_{x}Ga_{x}Te$ (x = 0, 0.01, 0.02, 0.04) prepared by the solid-state…

Tungsten diselenide (WSe2) emerges as a promising thermoelectric (TE) candidate due to its high thermopower (S), cost-effectiveness, and environmentally friendly characteristics. However, pristine WSe2 exhibits limited electrical…

Magnetic and transport properties of (Pr1/3Sm2/3)2/3A1/3MnO3 (A = Ca, Sr and Ba) compounds, prepared by the citrate gel route, have been investigated. These compounds are found to crystallize in the orthorhombic structure. Charge ordering…

材料科学 · 物理学 2009-11-10 Saket Asthana , D. Bahadur , A. K. Nigam , S. K. Malik

The demand for green energy increases day by day due to environmental concern and thermoelectric (TE) materials are one of the eco-friendly energy resources. Few authors reported high TE performance in TmCu$_3$Ch$_4$, reaching the figure of…

材料科学 · 物理学 2022-05-10 Enamul Haque

Reliable evaluation of the lattice thermal conductivity is of importance for optimizing the figure-of-merit of thermoelectric materials. Traditionally, when deriving the phonon mediated thermal conductivity $\kappa_{ph} = \kappa -…

材料科学 · 物理学 2014-08-15 M. X. Chen , R. Podloucky

Recent experimental observations indicate that bulk $Sc_2O_3$ (~200 nm thick), an insulator at room temperature and pressure, must act as a good electronic conductor during thermionic cathode operation, leading to the observed high emitted…

材料科学 · 物理学 2016-07-08 Ryan M. Jacobs , John H. Booske , Dane Morgan

We investigate the structural, mechanical, and thermoelectric properties of lead-free double halide perovskites Cs2TeX6 (X = Cl, Br, I) using first-principles calculations and semiclassical Boltzmann transport theory. The HSE06 band gap is…

材料科学 · 物理学 2026-02-03 Heena , Vineet Kumar Pandey , Saanvi Marethiya , Ambesh Dixit , Ajay Singh Verma , K. C. Bhamu

The thermoelectric properties of n type nanoscale three dimensional (3D) Si phononic crystals (PnCs) with spherical pores are studied. Density functional theory and Boltzmann transport equation under the relaxation time approximation are…

材料科学 · 物理学 2014-10-31 Lina Yang , Nuo Yang , Baowen Li

We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional (2D) transition metal dichalcogenide (TMDC) WS2 based on the experimentally prepared WS2/WSe2 lateral superlattice (LS) crystal. On the…

材料科学 · 物理学 2022-07-27 Yonglan Hu , Tie Yang , Dengfeng Li , Guangqian Ding , Chaochao Dun , Dandan Wu , Xiaotian Wang

In this work, thermoelectric properties of Al$_{1.2}$Fe$_2$B$_2$ compound were investigated over a temperature range from 300\,K to 773\,K. Al$_{1.2}$Fe$_2$B$_2$ compound was produced by vacuum arc melting of Al, Fe, and B followed by…

材料科学 · 物理学 2022-12-05 Duraisamy Sivaprahasam , Ashutosh Kumar , Babu Jayachandran , Raghavan Gopalan