Related papers: $zT$-factor enhancement in SnSe: predictions from …
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…
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…
It has been demonstrated that InSb nanoinclusions, which are formed in situ, can simultaneously improve all three individual thermoelectric properties of the n-type half Heusler compound (Ti,Zr,Hf)(Co,Ni)Sb [Xie et al., Acta Mater. 58, 4795…
Last few years have witnessed significant enhancement of thermoelectric figure of merit of lead telluride (PbTe) via nanostructuring. Despite the experimental progress, current understanding of the electron transport in PbTe is based on…
A recent study showed that, in spin-1 chiral fermion systems composed of two linearly dispersing bands and one trivial band, impurity scattering produces an asymmetric cusp in the spectral conductivity. We demonstrate that this asymmetric…
Tin monochalcogendies SnS and SnSe, belonging to a familiy of van der Waals crystals isoelectronic to black phosphorus, are know as enivornmetally-friendly materials promisng for thermoelecric conversion applications. However, they exhibit…
We report on structural, magnetic, conductivity, and thermodynamic studies of FeSe$_{0.5}$Te$_{0.5}$ single crystals grown by self-flux and Bridgman methods. The samples were prepared from starting materials of different purity at various…
Boosted by the relentless increase of available computational resources, high-throughput calculations based on first principles methods have become a powerful tool to screen a huge range of materials. The backbone of these studies are…
Low band gap thermoelectric materials suffer from bipolar effects at high temperatures, with increased electronic thermal conductivity and reduced Seebeck coefficient, leading to reduced power factor and low ZT figure of merit. In this work…
Thermoelectric properties of a nanocontact made of two capped single wall nanotubes (SWNT) are calculated within the tight-binding approximation and Green's function method. It is found that semiconducting nanotubes can have high Seebeck…
In-plane longitudinal and transverse thermoelectric phenomena in two parent compounds of iron-based superconductors are studied. Namely, the Seebeck (S) and Nernst (n) coefficients were measured in the temperature range 10 - 300 K for…
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…
The orthorhombic monochalcogenide SnSe has attracted much attention in recent years as a promising high-temperature thermoelectric material. We present a study of its thermal conductivity and specific heat of SnSe between 2~K and 300~K and…
There is evidence that magnetism can potentially increase the thermopower of materials, most likely due to magnon scattering, suggesting the incorporation of intrinsic magnetic semiconductors in non-magnetic thermoelectric materials. Here,…
We developed a theory of electric and thermoelectric conductivity of lightly doped SrTiO$_3$ in the non-degenerate region $k_B T \geq E_F$, assuming that the major source of electron scattering is their interaction with soft transverse…
The crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe3 have been investigated on single crystal and polycrystalline materials. The crystal structure contains layers made up of lozenge…
Magnetization relaxation in the two-dimensional itinerant ferromagnetic van der Waals material Fe$_3$GeTe$_2$, below the Curie temperature, is fundamentally important for applications to low-dimensional spintronics devices. We use…
We used density functional and many-body perturbation theory to calculate the quasiparticle band structures and electronic transport parameters of p-type SnSe both for the low-temperature Pnma and high-temperature Cmcm phases. The Pnma…
Slack's phonon-glass and electron-crystal concept has been the guiding paradigm for designing new thermoelectric materials. Zintl phases, in principle, have been shown as great contenders of the concept and thereby good thermoelectric…
The intermetallic compound ZnSb is an interesting thermoelectric material, largely due to its low lattice thermal conductivity. The origin of the low thermal conductivity has so far been speculative. Using multi-temperature single crystal…