Related papers: Thermoelectric power factor under strain-induced b…
We address the effect of band filling on the effective electron mass $m^*$ and the superconducting critical temperature $T_c$ in a electron-phonon system. We compare the vertex corrected theory with the non-crossing approximation of the…
A first-principles informed approach to the calculation of Lorenz numbers for complex thermoelectric materials is presented and discussed. Example calculations illustrate the importance of using accurate band structures and energy-dependent…
Pb$_{0.77}$Sn$_{0.23}$Se is a novel alloy of two promising thermoelectric materials PbSe and SnSe that exhibits a temperature dependent band inversion below 300 K. Recent work has shown that this band inversion also coincides with a trivial…
The Seebeck coefficient and electrical conductivity are two critical quantities to optimize simultaneously in designing thermoelectric materials, and they are determined by the dynamics of carrier scattering. We uncover a new regime where…
Optical and Hall-effect measurements have been performed on single crystals of Pb$_{0.77}$Sn$_{0.23}$Se, a IV-VI mixed chalcogenide. The temperature dependent (10--300 K) reflectance was measured over 40--7000 cm$^{-1}$ (5--870 meV) with an…
Whether porosity can effectively improve thermoelectric performance is still an open question. Herein we report that thermoelectric performance can be significantly enhanced by creating porosity in n-type Mg3.225Mn0.025Sb1.5Bi0.49Te0.01,…
We coupled first principles calculations and the quasiharmonic approximation combined with experiments (X-Ray diffraction and dilatometry measurements) to determine the thermal properties of NiTiSn (half-Heusler) and Ni2TiSn (Heusler)…
The basic features of multi-band superconductivity and its implications are derived. In particular, it is shown that enhancements of the superconducting transition temperature take place due to interband interactions. In addition, isotope…
Strain provides a powerful knob to tailor the electronic properties of semiconductors. Simple yet accurate approximations that capture strain effects in demanding simulations of mesoscopic nanostructures are therefore highly desirable.…
Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Novel pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh…
Iron chalcogenide superconductors are multi-band systems with strong electron correlations. Here we use angle-resolved photoemission spectroscopy to study band dependent correlation effects in single-layer FeSe/Nb:BaTiO3/KTaO3, a new iron…
Valence electron count (VEC) 18 half-Heusler (hH) alloys are considered promising for high-temperature thermoelectric applications due to their high Seebeck coefficient, mechanical stability, and robustness. However, their relatively large…
We use the Kotliar-Ruckenstein slave-boson formalism to study the temperature dependence of paramagnetic phases of the one-band Hubbard model for a variety of band structures. We calculate the Fermi liquid quasiparticle spectral weight $Z$…
Using first principles calculations, we study the conduction band alignment, effective mass, and Fermi surface complexity factor of n-type Mg3Sb2-xBix (x = 0, 1, and 2) from the full ab initio band structure. We find that with increasing…
The possible strong electron-phonon coupling and the pairing within the full width of the electron band and not only in a narrow sheet near the Fermi surface are taken into account. It is found that the effect of pairing of electrons…
The Mg2X (X=Si, Ge, Sn) based alloy is an eco-friendly thermoelectric material for mid-temperature applications. The Mg2Si1-xSnx and Mg2Ge1-xSnx alloys can be phase-separated into Si(Ge)- and Sn-rich phases during material synthesis,…
Nano-structuring is an extremely promising path to high performance thermoelectrics. Favorable improvements in thermal conductivity are attainable in many material systems, and theoretical work points to large improvements in electronic…
We study nonlinear transport effects on the maximum efficiency and power for both inelastic and elastic thermoelectric generators. The former refers to phonon-assisted hopping in double quantum-dots, while the latter is represented by…
We propose a two band model for superconductivity. It turns out that the simplest nontrivial case considers solely interband scattering, and both bands can be modeled as symmetric (around the Fermi level) and flat, thus each band is…
In doped semiconductors and metals, the thermopower decreases with increasing carrier concentration, in agreement with the Pisarenko relation. Here, we demonstrate a new strain engineering approach to increase the thermopower of [001] Si/Ge…