Related papers: Predicting the optimized thermoelectric performanc…
Over the last two decades a plethora of new thermoelectric materials, their alloys, and their nanostructures were synthesized. The ZT figure of merit, which quantifies the thermoelectric efficiency of these materials increased from values…
The ab-plane thermal conductivity $\kappa$ of single-crystalline hexagonal MgB_2 has been measured as a function of magnetic field H with orientations both parallel and perpendicular to the c-axis and at temperatures between 0.5 and 300 K.…
Transport properties of Cu-based chalcopyrite materials are presented using the full potential linear augmented plane wave method and Boltzmann Semi-classical theory. All the studied compounds appear to be direct band gap semiconductors…
Half Heusler (HH) thermoelectric alloys provide a wide platform to choose materials with non-toxic and earth abundant elements. This article presents an ab-initio theoretical evaluation of electrical and thermal transport properties of…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
We have measured the resistivity and the Seebeck coefficient of a MgB2 sintered sample. The temperature dependence of resistivity is fitted well by a generalized Bloch-Gruneisen equation with a Debye temperature of 1050 K. The Seebeck…
We have explored the mechanical, electronic, optical and thermoelectric properties of p-type half-Heusler compound BaAgP for the first time using density functional theory based calculations. The mechanical and dynamical stability of this…
We report the results of our experimental studies on the magnetic, transport and thermoelectric properties of the ferromagnetic metal CoMnSb. Sizable anomalous Hall conductivity $\sigma_{yx}$ and transverse thermoelectric conductivity…
Recent research on twisted bilayer graphene (TBG) uncovered that its twist-angle-dependent electronic structure leads to a host of unique properties, such as superconductivity, correlated insulating states, and magnetism. The flat bands…
The electronic structures and thermoelectric properties of $\mathrm{Cs_2[PdCl_4]I_2}$ are investigated by the first-principles calculations and semiclassical Boltzmann transport theory. Both electron and phonon transport are considered to…
By combining the electronic structures obtained from first principles calculations with Boltzmann transport theory we have investigated the electronic, magnetic and transport properties of Co$_{2}$MnGe Heusler compound. The density of…
Magnetotransport properties of ferromagnetic semiconductor (Ga,Mn)As have been investigated. Measurements at low temperature (50 mK) and high magnetic field (<= 27 T) have been employed in order to determine the hole concentration p =…
Metals have high electronic conductivities, but very low Seebeck coefficients, which traditionally make them unsuitable for thermoelectric materials. Recent studies, however, showed that metals can deliver ultra-high thermoelectric power…
Zintl phases are excellent thermoelectric prospects to put the waste heat to good use. In the quest of the same, using first-principles methods combined with Boltzmann transport theory, we explored two recent phases NaSrSb and NaBaSb. We…
Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in thermal management applications. However, finding highly…
We report first principles calculations of the structural, electronic, elastic and vibrational properties of the semiconducting orthorhombic ZnSb compound. We study also the intrinsic point defects in order to eventually improve the…
Substitution of Sb in FeSb$_2$ by less than 0.5% of Te induces a transition from a correlated semiconductor to an unconventional metal with large effective charge carrier mass $m^*$. Spanning the entire range of the semiconductor-metal…
MgAgSb, a promising thermoelectric material, undergoes reversible phase transitions that drastically alter its thermal transport behavior. Using first-principles calculations, we systematically investigate the lattice thermal conductivity…
We present a study of the superconducting transition in MgB2 using the ab-initio pseudopotential density functional method and the fully anisotropic Eliashberg equation. Our study shows that the anisotropic Eliashberg equation, constructed…
The hydrostatic pressure effect on the newly discovered superconductor MgB2 has been determined. The transition temperature Tc was found to decrease linearly at a large rate of -1.6 K/GPa, in good quantitative agreement with the ensuing…