相关论文: LaPtSb: a half-Heusler compound with high thermoel…

A code for calculating the semi-classical thermoelectric and electronic transport properties is described. It uses the Landauer transport theory, which is equivalent to the Boltzmann theory, by introducing a central quantity-the…

We report superconductivity in the ternary half-Heusler compound LuPtBi, with Tc = 1.0 K and Hc2 = 1.6 T. The crystal structure of LuPtBi lacks inversion symmetry, hence the material is a noncentrosymmetric superconductor. Magnetotransport…

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…

The semiconducting half Heusler compound YPtSb was predicted theoretically to be capable of changing into topological insulator under proper strain. In this work, p type semiconducting half-Heusler YPtSb thin films were prepared by…

The thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2 were characterized between 2 and 650K. As synthesized, the polycrystalline samples are found to have lower p-type carrier concentrations than single-crystalline…

In this study, theoretical investigation on structural, electronic, magnetic, elastic and thermoelectric properties of the full Heusler Co$_2$YPb (Y = Tc, Ti, Zr and Hf) alloys have been performed within density functional theory (DFT). The…

Thermoelectrics are promising to address energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor.…

Polycrystalline samples of Er$_{1-x}$Ho$_x$NiSb ($x$ = 0, 0.2, 0.3, 0.5, 0.7, 0.8, 1) were characterized by means of x-ray powder diffraction (XRD), scanning electron microscopy (SEM), and optical metallography. The results proved the…

Through a combined first-principles and Boltzmann transport theory, we systematically investigate the thermal and electrical transport properties of the unexplored ternary quasi two-dimensional KMgSb system of KMgX (X = P, As, Sb, and Bi)…

We theoretically unveil the unconventional possibility to achieve extremely high thermoelectric power factors in lightly doped narrow gap semiconductors with asymmetric conduction/valence bands operated in the bipolar transport regime.…

Thermoelectric technology is an alternate way to efficiently utilize the energy by converting waste heat into electricity. Thermoelectric requires material with low thermal conductivity to improves its thermoelectric performance. In this…

The most favorable structure of the synthesized TiCoSb half-Heusler alloy is explored theoretically and experimentally, and the best structure for thermoelectric conversion is reported. Rietveld refinement of the X-ray diffraction data…

The present theoretical study focuses on the structural, electronic and thermoelectric properties of PbTe, PbSe and their ternary alloys PbSe$_{x}$Te$_{1-x}$, using the density functional theory (DFT) by the full potential linearised…

First-principles calculation has led to significant discoveries in materials science. Half heusler (HH) alloys, which are potential thermoelectric materials have demonstrated significant improvements in thermoelectric performance owing to…

In this study, we systematically investigate the thermal and electronic transport properties of two-dimensional PbSe/PbTe monolayer heterostructure by combining first-principles calculations, Boltzmann transport theory, and machine learning…

We present a detailed study of the charge transport, optical reflectivity, and thermal transport properties of n-type PbSe crystals. A strong scattering, mobility-limiting mechanism was revealed to be at play at temperatures above 500 K.…

We report a thermal transport study of IrSbSe, which crystallizes in a noncentrosymmetric cubic structure with the $P2_13$ space group and shows a narrow-gap semiconducting behavior. The large discrepancy between the activation energy for…

Topological semimetal may have substantial applications in electronics, spintronics and quantum computation. Recently, ZrTe is predicted as a new type of topological semimetal due to coexistence of Weyl fermion and massless triply…

Energy filtering has been suggested by many authors as a means to improve thermoelectric properties. The idea is to filter away low-energy charge carriers in order to increase Seebeck coefficient without compromising electronic…

By using a first-principles approach, monolayer PbI$_2$ is found to have great potential in thermoelectric applications. The linear Boltzmann transport equation is applied to obtain the perturbation to the electron distribution by different…