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This study demonstrates the direct correlation between the presence of the L2$_1$ ordered phase and the large enhancement in the thermoelectric performance of Fe$_2$VAl thin films deposited on MgO and Al$_2$O$_3$ substrates at temperatures…

We employ density functional theory to investigate the thermoelectric properties of electron and hole doped PtSb$_2$. Our results show that for doping of 0.04 holes per unit cell (1.5$\times10^{20}$ cm$^{-3}$) PtSb$_2$ shows a high Seebeck…

Materials Science · Physics 2014-02-19 Y. Saeed , N. Singh , Schwingenschlögl

Doped films of organic small molecules are investigated with respect to their thermoelectric properties. A variety of hosts and dopants, for both n and p-doping, are compared. C$_{60}$ n-doped by Cr$_2$(hpp)$_4$ or o-MeO-DMBI-I are found to…

Materials Science · Physics 2014-01-08 Torben Menke

Thermoelectric properties of the system La$_2$NiO$_{4+\delta}$ have been studied ab initio. Large Seebeck coefficient values are predicted for the parent compound, and to some extent remain in the hole-doped metallic phase, accompanied of…

Strongly Correlated Electrons · Physics 2016-04-25 Victor Pardo , Antia S. Botana , Daniel Baldomir

This Letter presents ab initio calculations of the magneto-thermoelectric power (MTEP) and of the spin-Seebeck coefficient in MgO based tunnel junctions with Fe and Co leads. In addition, the normal thermopower is calculated and gives for…

Mesoscale and Nanoscale Physics · Physics 2011-04-26 Michael Czerner , Michael Bachmann , Christian Heiliger

We investigate the spin-dependent thermoelectric effects in magnetic graphene in both diffusive and ballistic regimes. Employing the Boltzmann and Landauer formalisms we calculate the spin and charge Seebeck coefficients (thermopower) in…

Mesoscale and Nanoscale Physics · Physics 2015-04-10 Babak Zare Rameshti , Ali G. Moghaddam

The Hall and Seebeck coefficients, electrical resistivity and thermal conductivity of polycrystalline NiSi3P4 were characterized from 2 to 775K. Undoped NiSi3P4 behaves like a narrow gap semiconductor, with activated electrical resistivity…

Materials Science · Physics 2013-03-18 Andrew F. May , Michael A. McGuire , Hsin Wang

We found that whisker crystals of Mo-doped Nb4SiTe4 show high thermoelectric performances at low temperatures, indicated by the largest power factor of 70 microW cm-1 K-2 at 230-300 K, much larger than those of Bi2Te3-based practical…

Materials Science · Physics 2020-06-12 Yoshihiko Okamoto , Taichi Wada , Youichi Yamakawa , Takumi Inohara , Koshi Takenaka

We report the measurement, using angle-resolved photoemission spectroscopy, of the metallic electronic structure of the hole-doped thermoelectric oxide CuRh$_{0.9}$Mg$_{0.1}$O$_2$. The material is found to have a ``pudding mold'' type band…

Here, we have investigated the thermoelectric properties of FeMnScGa alloy by combined use of full potential linearized augmented plane-wave (FP-LAPW) method and Boltzmann transport theory implemented in Wien2K and BoltzTraP code,…

Strongly Correlated Electrons · Physics 2020-12-02 Shubham Singh , Saurabh Singh , Nitinkumar Bijewar , Ashish Kumar

Pure ultrafine ZnFe2O4 particles have been obtained from mechanosynthesis of the ZnO and Fe2O3 oxides. The average grain diameter was estimated from x-ray diffraction to be <d> = 36(6) nm. Refinement of neutron diffraction (ND) data showed…

Materials Science · Physics 2013-02-07 G. F. Goya , H. R. Rechenberg , M. Chen , W. B. Yelon

The potential of bulk black-phosphorus for thermoelectric applications has been experimentally studied. The Seebeck Coefficient (S) has been measured in the temperature range from 300 K to 385 K, finding a value of S = +335 +- 10 uV/K at…

High thermoelectric performance in oxides requires stable conductive materials that have suitable band structures. Here we show based on an analysis of the thermopower and related properties using first-principles calculations and Boltzmann…

Materials Science · Physics 2013-04-22 Xin Chen , David Parker , Mao-Hua Du , David J. Singh

Cobalt ferrite (CoFe$_2$O$_4$) is a prototypical ferrimagnetic spinel oxide whose exceptional magnetic anisotropy, magnetoelastic coupling, and thermal stability underpin applications in spintronics, magnetic hyperthermia, energy…

Materials Science · Physics 2026-05-05 Soham Chandra , Soumyajit Sarkar

An important contribution to the thermoelectric and spin-caloric transport properties in magnetic materials at elevated temperatures is the formation of a spin-disordered state due to local moment fluctuations. This effect has not been…

Materials Science · Physics 2015-06-23 Roman Kováčik , Phivos Mavropoulos , Stefan Blügel

We calculate the in-plane Seebeck coefficient of Sr$_2$RuO$_4$ within a framework combining electronic structure and dynamical mean-field theory. We show that its temperature-dependence is consistent with entropic considerations embodied in…

Strongly Correlated Electrons · Physics 2016-07-20 Jernej Mravlje , Antoine Georges

Transition metal penta-tellurides, ZrTe5 and HfTe5 have been recently drawn a lot of attention due to their fascinating physical properties and for being prominent materials showing topological phase transitions. In this study, we…

Materials Science · Physics 2025-04-24 Syed Shovon Mahbub Mahin , Suptajoy Barua , B. Rahman Rano , Ishtiaque M. Syed , S. H. Naqib

The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…

Strongly Correlated Electrons · Physics 2015-06-16 Mehdi Kargarian , Gregory A. Fiete

The new technology of energy conversion must be developed to ensure energy sustainability. Thermoelectric (TE) materials provide an effective means to solve the energy crisis. As a potential TE candidate, the TE properties of perovskite…

In this report the Co2 based Heusler compounds are discussed as potential materials for spin voltage generation. The compounds were synthesized by arcmelting and consequent annealing. Band structure calculations were performed and revealed…

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