Related papers: Theoretical search for Chevrel phase based thermoe…
The study of topological quantum materials for enhanced thermoelectric energy conversion has received significant attention recently. Topological materials (including topological insulators and Dirac/Weyl/nodal-line semi-metals) with unique…
Searching for high-performance thermoelectric (TE) materials in the paradigm of narrow-bandgap semiconductors has lasted for nearly 70 years and is obviously hampered by a bottleneck of research now. Here we report on the discovery of a few…
Weyl and Dirac semimetals, characterized by their unique band structures with linear energy dispersion (E vs k) near the Fermi level (EF), have emerged as promising candidates for next-generation technology based on thermoelectric…
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.…
The band structure of the novel low-temperature thermoelectric material, \CBT, is calculated and analyzed using the semi-classic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties a…
On the quest for efficient thermoelectrics, semiconducting behavior is a targeted property. Yet, this is often difficult to achieve due to the complex interplay between electronic structure, temperature, and disorder. We find this to be the…
We theoretically investigate the thermoelectric properties of semiconducting (gapped) materials by varying the degrees of polynomials in their energy dispersion relations, in which either the valence or conduction energy dispersion depends…
Recently, a covalent-like quasi-bonding was unveiled for the inter-chain interaction in a promising semiconductor, few-layer Tellurium. Such quasi-bond offers comparable bond lengths and strengths with those of a typical Te-Te covalent…
Layered Zintl compounds exhibit significant tunability of thermoelectric (TE) parameters facilitated by their multiple elemental combinations and flexibility in stacking order within the layers. In this work, the effect of stacking order on…
We report first principles LDA calculations of the electronic structure and thermoelectric properties of $\beta $-Zn$_{4}$Sb$_{3}$. The material is found to be a low carrier density metal with a complex Fermi surface topology and…
A material's electronic topology, which is generally described via its Bloch states and the associated bandstructure, will be enriched by the presence of interactions. In metallic settings, the interactions are usually treated through the…
Unconventional superconductivity in the Chevrel phase offers a wide structural aspect to understand the superconducting ground state. A detailed investigation on the superconducting properties of Re based pseudobinary telluride Chevrel…
The thermoelectric properties of La-filled skutterudites are discussed from the point of view of their electronic structures. These are calculated from first principles within the local density approximation. The electronic structure is in…
The thermoelectric (TE) properties of quaternary Heusler alloys (CoX'ZrAl; X'= V, Fe, Ir) are studied in the framework of Density Functional Theory and Boltzmann Transport Theory. The compound CoVZrAl is found to be semiconducting and the…
Ferroelectrics with spontaneous electric polarization play an essential role in today's device engineering, such as capacitors and memories. Their physical properties are further enriched by suppressing the long-range polar order, as is…
Chevrel ternary superconductors show an intriguing coexistence of molecular aspects, large electron-phonon and electron-electron correlations, which to some extent still impedes their quantitative understanding. We present a first…
We consider a half-filled Chern band and its transport properties in two phases that it may form, the electronic Fermi liquid and the composite-fermion Fermi liquid. For weak disorder, we show that the Hall resistivity for the former phase…
In this paper, we briefly present our work on the role of transition-metal element in electronic structure and transport properties of quasicrystals and related complex phases. Several Parts of these works have been done or initiated in…
The thermoelectric properties of conductors with low electron density can be altered significantly by an applied magnetic field. For example, recent work has shown that Dirac/Weyl semimetals with a single pocket of carriers can exhibit a…
Topological materials attract a considerable research interest because of their characteristic band structure giving rise to various new phenomena in quantum physics. Beside this, they are tempting from a functional materials point of view:…