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Semiconducting half- and, to a lesser extent, full-Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting…

The thermal conductivity $\kappa$ of underdoped \Y was measured in the $T \to 0$ limit as a function of hole concentration $p$ across the superconducting critical point at $p_{SC}$ = 5.0%. ``Time doping'' was used to resolve the evolution…

We investigate the phonon thermal conductivity $\kappa_{\mathrm{ph}}$ of doped $\rm La_2CuO_4$ based on out-of-plane thermal conductivity measurements. When room temperature is approached the temperature dependence of $\kappa_{\mathrm{ph}}$…

Other Condensed Matter · Physics 2016-08-16 C. Hess , B. Büchner

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

The thermoelectric power S and the thermal conductivity k of stoichiometric and vacancy-doped CaB6 have been measured between 5 and 300 K. The thermopower of both materials is surprisingly large at room temperature. Across the whole covered…

Strongly Correlated Electrons · Physics 2007-05-23 K. Gianno' , A. V. Sologubenko , H. R. Ott , A. D. Bianchi , Z. Fisk

In spite of their relatively high lattice thermal conductivity $\kappa_{\ell}$, the XNiSn (X=Ti, Zr or Hf) half-Heusler compounds are good thermoelectric materials. Previous studies have shown that $\kappa_{\ell}$ can be reduced by…

The proximity to structural phase transitions in IV-VI thermoelectric materials is one of the main reasons for their large phonon anharmonicity and intrinsically low lattice thermal conductivity $\kappa$. However, the $\kappa$ of GeTe…

Materials Science · Physics 2021-02-23 Đorđe Dangić , Olle Hellman , Stephen Fahy , Ivana Savić

The thermal conductivity $\kappa$ of a material is an important parameter in many different applications. Optimization strategies of $\kappa$ often require insight into the dominant phonon scattering processes of the material under study.…

Materials Science · Physics 2018-12-26 Matthias Schrade , Terje G. Finstad

Excitations and scatterings among the quantized lattice vibrations, i.e., phonons, govern the lattice thermal conductivity ($\kappa_l$) in crystalline solids. Therefore, effective modulation of $\kappa_l$ can be achieved through selective…

Materials Science · Physics 2025-07-09 Jyoti Duhan , Chris Wolverton , Koushik Pal

We use a magnetothermal resistance method to measure the lattice thermal conductivity of a single crystal of Bi$_2$Te$_3$ from 5 to 60 K. We apply a large transverse magnetic field to suppress the electronic thermal conduction while…

Materials Science · Physics 2017-04-12 Mengliang Yao , Stephen Wilson , Mona Zebarjadi , Cyril Opeil

Transport coefficients serve as important probes in characterizing the QCD matter created in high-energy heavy-ion collisions. Thermal and electrical conductivities as transport coefficients have got special significance in studying the…

High Energy Physics - Phenomenology · Physics 2019-09-25 Pragati Sahoo , Raghunath Sahoo , Swatantra Kumar Tiwari

Here, we present the phonon calculations for thermodynamic properties, thermal expansion and lattice thermal conductivity of Fe$_{2}$VAl in the temperature range of $300-800$ K and compared with existing experiment. Phonon dispersion is…

Materials Science · Physics 2022-07-13 Shamim Sk , Sudhir K. Pandey

High-performance thermoelectric (TE) materials are crucial for efficient waste-heat recovery and solid-state cooling technologies. A persistent challenge in TE materials design arises from the strong interdependence among the electrical…

Materials Science · Physics 2026-04-28 Zhonghao Xia , Michele Reticcioli , Yateng Wang , Yali Yang , Alessandro Stroppa , Jiangang He

Ternary pnictides semiconductors with II-IV-V2 stoichiometry hold potential as cost effective thermoelectric materials with suitable electronic transport properties, but their lattice thermal conductivities ($\kappa$) are typically too…

We study the electronic contribution to the main thermoelectric properties of a molecular junction consisting of a single quantum dot coupled to graphene external leads. The system electrical conductivity (G), Seebeck coefficient ($S$), and…

Mesoscale and Nanoscale Physics · Physics 2017-10-25 S. T. Rodriguez , I. Grosu , M. Crisan , I. Tifrea

The Lorenz number (L) contained in the Wiedemann-Franz law represents the ratio of two kinetic parameters of electronic charge carriers: the electronic contribution to the thermal conductivity (K_el) and the electrical conductivity (sigma),…

Materials Science · Physics 2022-12-05 Yi Wang , Jorge Paz Soldan Palma , Shun-Li Shang , Long-Qing Chen , Zi-Kui Liu

We investigate the microscopic mechanism of ultralow lattice thermal conductivity ($\kappa_l$) of TlInTe$_2$ and its weak temperature dependence using a unified theory of lattice heat transport that considers contributions arising from the…

Materials Science · Physics 2020-12-09 Koushik Pal , Yi Xia , Chris Wolverton

We study charge and heat transport from first-principles in the topological Weyl semimetal TaAs. Electron-phonon coupling matrix elements are calculated using density functional perturbation theory and used to derive the thermo-electric…

Materials Science · Physics 2025-05-22 Guillaume E. Allemand , Matteo Giantomassi , Matthieu J. Verstraete

We calculate the lattice thermal conductivity ($\kappa$) for cubic (zinc-blende) and hexagonal (wurtzite) phases for 8 semiconductors using $\textit{ab initio}$ calculations and solving the Phonon Boltzmann Transport Equation, explaining…

Materials Science · Physics 2019-09-06 Martí Raya-Moreno , Riccardo Rurali , Xavier Cartoixà

Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials at high temperatures due to the reduction in the Seebeck coefficient and the introduction of an additional term to the thermal…

Materials Science · Physics 2019-03-27 Samuel Foster , Neophytos Neophytou