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We present here the thermoelectric properties of olivine-type Fe2GeCh4 (Ch = S, Se and Te) using the linear augmented plane wave method based on first principles density functional calculations. The calculated transport properties using the…

Materials Science · Physics 2016-07-06 Vijay Kumar Gudelli , V Kanchana , G Vaitheeswaran

In this work, we have investigated the electronic structure and thermoelectric properties of quaternary heusler alloy, FeRuTiSi, using first principle DFT tools implemented in WIEN2k and BoltzTraP code. Electronic structure calculations…

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

Transition metal oxides are considered promising thermoelectric materials for harvesting high-temperature waste heat due to their stability, abundance and low toxicity. Despite their typically strong ionic character, they can exhibit…

Materials Science · Physics 2019-12-04 Simon Thébaud , Christophe Adessi , Georges Bouzerar

In the quest of new thermoelectric (TE) materials with high power factors, full-Heusler compounds having flat band are found to be promising candidates. In this direction, Fe$_{2}$ScX (X=P,As,Sb) compounds are investigated using mBJ for the…

Strongly Correlated Electrons · Physics 2019-12-30 Shivprasad S. Shastri , Sudhir K. Pandey

We report the thermoelectric (TE) properties of (1-x)LaCoO3.xLa0.7Sr0.3MnO3 (0 < x < 0.10) composite in a temperature range 320-800 K. Addition of La0.7Sr0.3MnO3 to LaCoO3 in small amount (5 weight %) improves the overall Seebeck…

Materials Science · Physics 2023-04-11 Ashutosh Kumar , Karuna Kumari , B. Jayachandran , D. Sivaprahasam , Ajay D Thakur

The fundamental aspects of spin-dependent transport processes and their interplay with temperature gradients, as given by the spin Seebeck coefficient, are still largely unexplored and a multitude of contributing factors must be considered.…

Materials Science · Physics 2014-04-23 Roman Kováčik , Phivos Mavropoulos , Daniel Wortmann , Stefan Blügel

Density functional calculations are used to study magnetic and electronic properties of the spinel ferrites, ZnFe$_2$O$_4$ and MnFe$_2$O$_4$. Correct magnetic orderings are obtained. ZnFe$_2$O$_4$ is predicted to be a small gap insulator in…

Condensed Matter · Physics 2009-11-07 D. J. Singh , M. Gupta , R. Gupta

The strain effect on electronic structure and thermoelectric properties of Higher Manganese Silicides (HMSs) Mn4Si7 was studied using Density Functional Theory (DFT) and through solving Boltzman Transport Equation (BTE). We found that the…

Materials Science · Physics 2016-09-21 Do Duc Cuong , JinSik Park , S. H. Rhim , Soon Cheol Hong

Transition metal-based quaternary chalcogenides have gathered immense attention for various renewable energy applications including thermoelectrics (TE). While low-symmetry and complex structure help to achieve low thermal conductivity, the…

Materials Science · Physics 2024-01-15 Himanshu Sharma , Bhawna Sahni , Tanusri Saha-Dasgupta , Aftab Alam

The experimental studies about monolayer transition metal dichalcogenides in the recent year reveal this kind of compounds have many metastable phases with unique physical properties, not just 1H phases. Here, we focus on the 1T'' phase and…

Materials Science · Physics 2020-02-12 Yanfeng Ge , Wenhui Wan , Yulu Ren , Yong Liu

We report the discovery of a very large thermoelectric power over -400 microV K-1 in the whisker crystals of a one-dimensional telluride Ta4SiTe4, while maintaining a low electrical resistivity of rho = 2 mohm cm, yielding a very large…

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

The presence of complexity in the electronic structure of strongly correlated electron system NdCoO$_3$ (NCO) have sparked interest in the investigation of its physical properties. Here, we study the the Seebeck coefficient ($\alpha $) of…

Materials Science · Physics 2023-12-19 Abhishek Pandey , Sudhir K. Pandey

We demonstrate that kinetic coefficients related to thermoelectric properties of the two dimensional electron gas in the diffusive regime are strongly influenced by electron-electron interaction. As an example we consider the thermoelectric…

Strongly Correlated Electrons · Physics 2015-05-30 V. T. Dolgopolov , A. Gold

The record-breaking thermoelectric performance of tin selenide (SnSe) has motivated the investigation of analogue compounds with the same structure. A promising candidate that emerged recently is germanium selenide (GeSe). Here, using…

Materials Science · Physics 2022-02-15 Anderson S. Chaves , Daniel T. Larson , Efthimios Kaxiras , Alex Antonelli

Cu$_3$SbSe$_4$ is a promising thermoelectric material due to high thermopower ($>400\ \mu$V/K) at 300K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of…

Materials Science · Physics 2014-09-17 Dat T. Do , S. D. Manhanti

Nanostructured materials and nanocomposites have shown great promise for improving the efficiency of thermoelectric materials. Herein, Fe nanoparticles were imbedded into a CrN matrix by combining two physical vapor deposition approaches,…

The development of good thermoelectric materials exhibiting high $ZT$ (=$\frac{PF}{\kappa} T$) requires maximizing power factor, $PF$, mainly governed by electrons, and minimizing thermal conductivity, $\kappa$, associated not only with…

Materials Science · Physics 2025-02-10 Manaho Matsubara , Takahiro Yamamoto , Hidetoshi Fukuyama

Recent experimental studies on Fe substituted spinel CoCr$_{2}$O$_{4}$ have discovered multiple functional properties in the system such as temperature and composition dependent magnetic compensation, tunable exchange bias and…

Materials Science · Physics 2018-08-29 Debashish Das , Subhradip Ghosh

The thermoelectric figure of merit of the Heusler alloy TiFe$_{1.5}$Sb was investigated by first-principles calculations of lattice thermal conductivity. The electronic thermal conductivity, electrical conductivity, and Seebeck coefficient…

Materials Science · Physics 2025-05-27 Rifky Syariati , Athorn Vora-ud , Fumiyuki Ishii , Tosawat Seetawan

Thermoelectric conversion using Seebeck effect for generation of electricity is becoming an indispensable technology for energy harvesting and smart thermal management. Recently, the spin-driven thermoelectric effects (STEs), which employ…