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The conventional understanding that a bandstructure that produces a Dirac delta function transport distribution (or transmission in the Landauer framework) maximizes the thermoelectric figure of merit, ZT, is revisited. Thermoelectric (TE)…

Materials Science · Physics 2015-05-27 Changwook Jeong , Raseong Kim , Mark Lundstrom

In order to improve the thermoelectric performance of TiCoSb we have substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se equally at Sb site. The electronic structure of Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 is investigated…

Materials Science · Physics 2018-05-09 Mukesh K. Choudhary , P Ravindran

The superconductivity recently found in the doped topological insulator Cu_xBi_2Se_3 offers a great opportunity to search for a topological superconductor. We have successfully prepared a single-crystal sample with a large shielding…

Superconductivity · Physics 2011-03-25 M. Kriener , Kouji Segawa , Zhi Ren , Satoshi Sasaki , Yoichi Ando

The band structure of the novel low-temperature thermoelectric material, \CBT, is calculated and analyzed using the semi-classic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties a…

Materials Science · Physics 2007-05-23 Lars Lykke , Bo B. Iversen , Georg K. H. Madsen

We present results of electronic band structure, Fermi surface and electron transport properties calculations in orthorhombic $n$- and $p$-type SnSe, applying Korringa-Kohn-Rostoker method and Boltzmann transport approach. The analysis…

Materials Science · Physics 2015-05-11 K. Kutorasinski , B. Wiendlocha , S. Kaprzyk , J. Tobola

Tungsten (W) is a material of choice for the divertor material due to its high melting temperature, thermal conductivity, and sputtering threshold. However, W has a very high brittle-to-ductile transition temperature and at fusion reactor…

Materials Science · Physics 2023-03-29 E. L. Sikorski , M. A. Cusentino , M. J. McCarthy , J. Tranchida , M. A. Wood , A. P. Thompson

As-Based Zintl compounds Ba1-xKxCd2As2 crystallized in the CaAl2Si2-type structure (space group P3-m1) were prepared using solid-state reactions followed by hot-pressing. We have successfully substituted K for Ba up to x = 0.08, producing…

Materials Science · Physics 2018-11-28 H. Kunioka , K. Kihou , H. Nishiate , a A. Yamamoto , H. Usui , K. Kuroki , C. H. Lee

Excellent thermoelectric performance in the out-of-layer n-doped SnSe has been observed experimentally (Chang et al., Science 360, 778-783 (2018)). However, a first-principles investigation of the dominant scattering mechanisms governing…

Materials Science · Physics 2021-09-29 Anderson S. Chaves , Daniel T. Larson , Efthimios Kaxiras , Alex Antonelli

We report measurements of the in-plane thermoelectric power (TEP) for an overdoped (OD) crystal of the single layer cuprate superconductor Tl$_2$Ba$_2$CuO$_{6+x}$ (Tl2201) at several hole concentrations ($p$), from 300 or 400 K to below the…

Superconductivity · Physics 2024-01-17 J. R. Cooper , J. C. Baglo , C. Putzke , A. Carrington

Electrical and thermal transport properties of Cu-deficient kuramite Cu3-xSnS4 (CTS) was examined as a possible earth-abundant thermoelectric material. Crystallographic structure of CTS was characterized by partial disorder between Cu and…

Materials Science · Physics 2015-06-23 Yosuke Goto , Yuki Sakai , Yoichi Kamihara , Masanori Matoba

The structure and physical properties of the Zr-stabilized, nonstoichiometric molybdenum diboride superconductor are reported. Good quality material of the diboride structure type can only be obtained by partial substitution of Zr for Mo,…

Superconductivity · Physics 2009-11-07 L. E. Muzzy , M. Avdeev , G. Lawes , M. K. Haas , H. W. Zandbergen , A. P. Ramirez , J. D. Jorgensen , R. J. Cava

In topological insulators (TIs), metallic surface conductance saturates the insulating bulk resistance with de- creasing temperature, resulting in resistivity plateau at low temperatures as a transport signature originating from metallic…

Materials Science · Physics 2016-07-13 Yi-Yan Wang , Qiao-He Yu , Tian-Long Xia

We use first-principles electronic structure methods to calculate the electronic thermoelectric properties (i.e. due to electronic transport only) of single-crystalline bulk $n$-type silicon-germanium alloys vs Ge composition, temperature,…

Materials Science · Physics 2025-02-03 F. Murphy-Armando

Recently, we reported [M. Wagner et al., J. Mater. Res. 26, 1886 (2011)] transport measurements on the semiconducting intermetallic system RuIn3 and its substitution derivatives RuIn_{3-x}A_{x} (A = Sn, Zn). Higher values of the…

Materials Science · Physics 2015-05-30 Deepa Kasinathan , Maik Wagner , Klaus Koepernik , Raul Cardoso-Gil , Yu. Grin , Helge Rosner

The crystal structure, superconducting properties, and electronic structure of a novel superconducting 122-type antimonide, BaPt$_2$Sb$_2$, have been investigated by measurements of powder X-ray diffraction patterns, electrical resistivity,…

A nanopowder from p-Bi-Sb-Te with particles ~ 10 nm were fabricated by the ball milling using different technological modes. Cold and hot pressing at different conditions and also SPS process were used for consolidation of the powder into a…

Polycrystalline Sb 2 Te 3-x Se x (0.0 < x < 1.0) samples were synthesized by the solid state reaction method. The structural analysis showed that up to the maximal concentration of Se, the samples possess the Rhombohedral crystal symmetry…

Both superconductivity and thermoelectricity offer promising prospects for daily energy efficiency applications. The advancements of thermoelectric materials have led to the huge improvement of the thermoelectric figure of merit in the past…

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

We report the synthesis, electronic properties, and electronic structure of LaIrSi-type BaPtP with a noncentrosymmetric cubic crystal structure. Electrical resistivity and heat capacity data taken by using polycrystalline samples indicated…

Strongly Correlated Electrons · Physics 2020-06-12 Yoshihiko Okamoto , Ryosuke Mizutani , Youichi Yamakawa , Hiroshi Takatsu , Hiroshi Kageyama , Koshi Takenaka