相关论文: High-Performance Thermoelectric Oxides Based on Sp…

Group-IV monochalcogenides have recently shown great potential for their thermoelectric, ferroelectric, and other intriguing properties. The electrical properties of group-IV monochalcogenides exhibit a strong dependence on the chalcogen…

Efficient thermoelectric materials should present large Seebeck coefficient, high electrical conductivity and low thermal conductivity. An enhanced Seebeck coefficient can be obtained from materials where the Fermi level can be aligned with…

The reliable calculation of electronic structures and understanding of electrical properties depends on an accurate model of the crystal structure. Here, we have reinvestigated the crystal structure of the high-zT thermoelectric material…

In this work, we first perform a systematic search for high-efficiency three-dimensional (3D) and two-dimensional (2D) thermoelectric materials by combining semiclassical transport techniques with density functional theory (DFT)…

The layered misfit cobaltate Ca$_3$Co$_4$O$_9$, also known as Ca$_2$CoO$_3$[CoO$_2$]$_{1.62}$, is a promising p-type thermoelectric oxide. Employing density functional theory, we study its electronic structure and determine, on the basis of…

We report a ferroelectric order at ~ 98 K for NiFe2O4, which carries an inverse spinel structure with a centrosymmetric Fd3m structure at room temperature. The value of spontaneous electric polarization is considerably high as ~ 0.29…

We report a combined theoretical and experimental study of a novel quaternary Heusler system CoFeVSb from the view point of room temperature spintronics and thermoelectric applications. It crystallizes in cubic structure with small…

We present a study of the thermoelectric (Seebeck and Nernst) response in heavily overdoped, non-superconducting La$_{1.67}$Sr$_{0.33}$CuO$_4$. In spite of the electron-like curvature of the Fermi surface, the Seebeck coefficient is…

The seeking of room temperature ferromagnetic semiconductors, which take advantages of both the charge and spin degrees of freedom of electrons to realize a variety of functionalities in devices integrated with electronic, optical, and…

Density functional based simulations are employed to explore magnetoelectric effects in iron-based oxides, showing a unique layered structure. We theoretically predict CaFeO2 to be a promising magnetoelectric, showing…

The structural and magnetic properties of spinel compounds $CoB_2O_4$ (B=Cr,Mn and Fe) are studied using the DFT+U method and generalized gradient approximation (GGA). We concentrate on understanding the trends in the properties of these…

We report about the results of theoretical calculations of temperature dependence of resistivity ($\rho$) and Seebeck coefficient ($S$) for thermoelectric (TE) and superconductivity (SC) phases by arithmetic equations based on narrow band…

The quest for thermoelectric materials with high figures of merit is an ongoing and significant area of research. In this study, we investigate the thermoelectric properties of the CoTiSi half-Heusler alloy using density functional theory…

The electronic thermoelectric coefficients are analyzed in the vicinity of one and two Anderson localization thresholds in three dimensions. For a single mobility edge, we correct and extend previous studies, and find universal approximants…

Here, we investigate the thermoelectric properties of the marcasite-type compounds MSb$_2$ (M = Ta, Nb) in the temperature range of 310-730 K. These compounds were synthesized by a solid-state reaction followed by the spark plasma sintering…

The spin Seebeck effect (SSE) has generated interest in the thermoelectric and magnetic communities for potential high efficiency energy harvesting applications, and spintronic communities as a source of pure spin current. To understand the…

Tungsten diselenide (WSe2) emerges as a promising thermoelectric (TE) candidate due to its high thermopower (S), cost-effectiveness, and environmentally friendly characteristics. However, pristine WSe2 exhibits limited electrical…

In this work, we try to understand the experimental thermoelectric (TE) properties of a ZrNiSn sample with DFT and semiclassical transport calculations using SCAN functional. SCAN and mBJ provide the same band gap $E_{g}$ of $\sim$0.54 eV.…

Recently, low-dimensional organic-inorganic hybrid halide compounds have aroused great attention in the optoelectronic field, due to the unique topology and optical properties. Herein, we report an Mn4+ doped [N(CH3)4]2TiF6 zero-dimensional…

We report a correlation between structural phase stability and magnetic properties of Co2FeO4 spinel oxide. We employed mechanical alloying and subsequent annealing to obtain the desired samples. The particle size of the samples changes…