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In this work, we have studied the electronic structure of a promising thermoelectric half-Heusler FeVSb using FP-LAPW method and SCAN meta-GGA including spin-orbit coupling. Using the obtained electronic structure and transport calculations…

Strongly Correlated Electrons · Physics 2020-12-30 Shivprasad S. Shastri , Sudhir K. Pandey

Low-dimensional layered materials have attracted tremendous attentions due to their wide range of physical and chemical properties and potential applications in electronic devices. Using first-principles method taking into account the…

Materials Science · Physics 2018-08-16 Z. Z. Zhou , H. J. Liu , D. D. Fan , C. Y. Sheng , G. H. Cao

Low band gap thermoelectric materials suffer from bipolar effects at high temperatures, with increased electronic thermal conductivity and reduced Seebeck coefficient, leading to reduced power factor and low ZT figure of merit. In this work…

Materials Science · Physics 2022-03-14 Patrizio Graziosi , Zhen Li , Neophytos Neophytou

We have measured the thermoelectric power, S, and resistivity, rho, of pure and Al-doped MgB2. S is positive and increases linearly with temperature above the superconducting transition temperature, Tc. Deviations from the linear dependence…

Superconductivity · Physics 2009-11-07 B. Lorenz , R. L. Meng , Y. Y. Xue , C. W. Chu

Far-infrared reflectivity studies on the polycrystalline intermetallic compound MgB_2 with a superconducting transition temperature T_c=39 K were performed at temperatures 20 K to 300 K. We observe a significant raise of the…

We employ dynamical mean-field theory to identify the materials properties that optimize Tc for a generalized double-exchange (DE) model. We reach the surprising conclusion that Tc achieves a maximum when the band angular momentum j equals…

Strongly Correlated Electrons · Physics 2009-11-11 Juana Moreno , Randy S. Fishman , Mark Jarrell

Two-dimensional layered materials have attracted tremendous attentions due to their extraordinary physical and chemical properties. Using first-principles calculations and Boltzmann transport theory, we give an accurate prediction of the…

Mesoscale and Nanoscale Physics · Physics 2019-02-13 Z. Z. Zhou , H. J. Liu , D. D. Fan , G. H. Cao , C. Y. Sheng

We report data on the thermal conductivity K(T,H) along the basal plane of the hexagonal crystal structure of superconducting Mg{1-y}Al{y}B2 with y=0.02 and 0.07 at temperatures between 0.5 and 50 K and in external magnetic fields between 0…

Superconductivity · Physics 2007-05-23 A. V. Sologubenko , N. D. Zhigadlo , J. Karpinski , H. R. Ott

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 have measured temperature dependence of thermoelectric power (TEP) on MgB$_2$ superconductor under hydrostatic pressure. The sign and temperature dependence of TEP shows metallic hole carriers are dominant with activation type…

Strongly Correlated Electrons · Physics 2007-05-23 E. S. Choi , W. Kang , J. Y. Kim , Min-Seok Park , C. U. Jung , Heon-Jung Kim , Sung-Ik Lee

The single-band alpha-model of superconductivity [H. Padamsee, et al., J. Low Temp. Phys. {\bf 12}, 387 (1973)] is a popular model that was adapted from the single-band Bardeen-Cooper-Schrieffer (BCS) theory of superconductivity mainly to…

Superconductivity · Physics 2013-10-15 D. C. Johnston

We present a Ginzburg-Landau theory for a two-band superconductor with emphasis on MgB$_{2}$. Experiments are proposed which lead to identification of the possible scenarios: whether both $\sigma $- and $\pi $-bands superconduct or $\sigma…

Superconductivity · Physics 2007-05-23 V. A. Ivanov , J. J. Betouras , F. M. Peeters

It is demonstrated that the transition temperature (Tc) of high-Tc superconductors is determined by their layered crystal structure, bond lengths, valency properties of the ions, and Coulomb coupling between electronic bands in adjacent,…

Superconductivity · Physics 2012-02-03 Dale R. Harshman , Anthony T. Fiory , John D. Dow

On the quest for efficient thermoelectrics, semiconducting behavior is a targeted property. Yet, this is often difficult to achieve due to the complex interplay between electronic structure, temperature, and disorder. We find this to be the…

Materials Science · Physics 2020-09-24 Maria Troppenz , Santiago Rigamonti , Jorge O. Sofo , Claudia Draxl

The electronic and phonon transport properties of quaternary tetradymite BiSbSeTe2 are investigated using first-principles approach and Boltzmann transport theory. Unlike the binary counterpart Bi2Te3, we obtain a pair of Rashba splitting…

Materials Science · Physics 2018-08-01 Z. Z. Zhou , H. J. Liu , D. D. Fan , B. Y. Zhao , C. Y. Sheng , G. H. Cao , S. Huang

Thermoelectric properties of the type-I clathrates Ba$_8$Cu$_x$Si$_{46-x}$ ($3.6 \leq x \leq 7$, $x$ = nominal Cu content) are investigated both experimentally and theoretically. The polycrystalline samples are prepared either by melting,…

Materials Science · Physics 2012-12-14 X. Yan , M. X. Chen , S. Laumann , E. Bauer , P. Rogl , R. Podloucky , S. Paschen

To investigate the physical characteristics of the half-Heusler BaHgSn molecule, we used theoretical calculations within the Density Functional Theory (DFT) framework utilizing the LSDA+mBJ technique in this study. Using the optimal lattice…

Materials Science · Physics 2024-03-14 A. Jabar , S. Benyoussef , L. Bahmad

Thermoelectricity in principle provides a pathway to put waste heat to good use. Motivated by this we investigate thermal and electrical transport properties of two new Fe-based Heusler alloys, FeTaSb and FeMnTiSb, by a first principles…

Materials Science · Physics 2018-06-26 Mohd Zeeshan , Tashi Nautiyal , Jeroen van den Brink , Hem C. Kandpal

We present the results of measurements of the thermal and electrical conductivity in the basal plane of single-crystalline MgB_2 between 2 and 300 K. The analysis of the temperature dependence of the thermal conductivity gives supporting…

Superconductivity · Physics 2007-05-23 A. V. Sologubenko , J. Jun , S. M. Kazakov , J. Karpinski , H. R. Ott

We describe a result coming from an experiment based on an Al-Mg alloy (~ 5% Mg) suspended bar hit by an electron beam and operated above and below the termperature of transition from superconducting to normal state of the material. The…