Related papers: Doping optimization for the power factor of bipola…
The electronic and thermoelectric (TE) transport properties of 13 n-type and p-type half-Heusler alloys are computationally examined using Boltzmann transport. The electronic scattering times resulting from all relevant phonon interactions…
The control over material properties attainable through molecular doping is essential to many technological applications of organic semiconductors, such as OLED or thermoelectrics. These excitonic semiconductors typically reach the…
With the goal of maximizing the thermoelectric (TE) figure of merit $ZT$, Mahan and Sofo [Proc. Natl. Acad. Sci. U.S.A. 93, 7436 (1996)] found that the optimal transport distribution (TD) is a delta function. Materials, however, have TDs…
The bad metallic phase with resistivity above the Mott-Ioffe-Regel limit, which appears also in cuprate superconductors, was recently understood by cold atom and computer simulations of the Hubbard model via charge susceptibility and charge…
Two different ferroelectric materials, Sr$_{0.95}$Ba$_{0.05}$TiO$_3$ and Sr$_{0.985}$Ca$_{0.015}$TiO$_3$, can be turned into polar metals with broken centrosymmetry via electron doping. Systematic substitution of Nb$^{5+}$ for Ti$^{4+}$ has…
Novel intrinsic two-dimensional materials have attracted many researchers' attention. The unusual transport and optical properties of these materials originate mainly from triangular lattices (TLs). Therefore, the application of energy…
By performing first principles calculations combined with Boltzmann transport equations, we calculate the thermoelectric power factor (PF) of Bi-Sb-Te and Bi-Te-Se ternary alloys as a function of alloy composition ratio, carrier…
The doping and temperature dependence of the thermodynamic properties in cuprate superconductors is studied based on the kinetic energy driven superconducting mechanism. By considering the interplay between the superconducting gap and…
Here, we have investigated the thermoelectric properties of FeMnScGa alloy by combined use of full potential linearized augmented plane-wave (FP-LAPW) method and Boltzmann transport theory implemented in Wien2K and BoltzTraP code,…
As-Based Zintl compounds Ba1-xKxCd2As2 crystallized in the CaAl2Si2-type structure (space group P3-m1) were prepared using solid-state reactions followed by hot-pressing. We have successfully substituted K for Ba up to x = 0.08, producing…
Th$_3$Te$_4$ materials are potential candidates for commercial thermoelectric (TE) materials at high-temperature due to their superior physical properties. We incorporate the multiband Boltzmann transport equations with firstprinciples…
The discovery of novel materials for thermoelectric energy conversion has potential to be accelerated by data-driven screening combined with high-throughput calculations. One way to increase the efficacy of successfully choosing a candidate…
Superconductivity occurs in electrochemically doped molybdenum dichalcogenides samples thicker than four layers. While the critical temperature (Tc) strongly depends on the field effect geometry (single or double gate) and on the sample…
Low-dimensional electronic and glassy phononic transport are two important ingredients of highly-efficient thermoelectric material, from which two branches of the thermoelectric research emerge. One focuses on controlling 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…
While it is known that the amplification of the superconducting critical temperature Tc is possible in a system of multiple electronic components in comparison with a single component system, many different road maps for room temperature…
Recent experimental investigations have demonstrated that doping a semiconductor is a route to increase the thermal boundary conductance at metal/semiconductor interfaces. In this work, the influence of the electrical properties on heat…
Band alignment (or band convergence) is a strategy suggested to provide improvements in the thermoelectric power factor (PF) of materials with complex bandstructures. The addition of more bands at the energy region that contributes to…
Ferroelectric field-effect doping has emerged as a powerful approach to manipulate the ground state of correlated oxides, opening the door to a new class of field-effect devices. However, this potential is not fully exploited so far, since…
Intuitively, doping represents one of the most promising avenues for optimization of best prospect superconductors (SC) such as conventional high-pressure SCs with record critical temperatures. However, doping at high pressure (HP) is very…