相关论文: On the Best Bandstructure for Thermoelectric Perfo…
Zirconium pentatelluride (ZrTe$_{5}$), a system with a Dirac linear band across the Fermi level and anomalous transport features, has attracted considerable research interest for it is predicted to be located at the boundary between strong…
Terahertz radiation pulses can be generated efficiently through femtosecond laser excitation of a ferromagnetic/nonmagnetic heterostructure, wherein an ultrafast laser-induced spin current results in an electromagnetic THz pulse due to…
Three-dimensional (3D) topological insulators (TI) are novel quantum materials with insulating bulk and topologically protected metallic surfaces with Dirac-like band structure. The spin-helical Dirac surface states are expected to host…
Thermoelectric materials can generate electricity directly utilizing heat and thus, they are considered to be eco-friendly energy resources. The thermoelectric efficiency at low temperatures is impractically small, except only a few bulk…
On the basis of detailed ab initio studies the influence of strain on the anisotropy of the transport distribution of the thermoelectrics Bi$_2$Te$_3$ and Sb$_2$Te$_3$ was investigated. Both tellurides were studied in their own, as well as…
We study the effect of the electron wavefunction on Kohn-Luttinger superconductivity. The role of the wavefunction is encoded in a complex form factor describing the topology and geometry of the bands. We show that the electron wavefunction…
The thermoelectric properties of a semiconduct quantum dot chain (SQDC) connected to metallic electrodes are theoretically investigated in the Coulomb blockade regime. An extended Hubbard model is employed to simulate the SQDC system…
Obtaining accurate band structures of correlated solids has been one of the most important and challenging problems in first-principles electronic structure calculation. There have been promising recent active developments of wave function…
Thermoelectric (TE) devices have been attracting increasing attention because of their ability to convert heat directly to electricity. To date, improving the TE figure of merit remains the key challenge. The advent of the topological…
Increasing demands for renewable sources of energy has been a major driving force for developing efficient thermoelectric materials. Two-dimensional (2D) transition-metal dichalcogenides (TMDC) have emerged as promising candidates for…
Efficient thermoelectric materials require a rare and contraindicated combination of materials properties: large electrical conductivity, large Seebeck coefficient, and low thermal conductivity. One strategy to achieve the first two…
This paper examines the stability of a previously proposed version of the shear-transformation-zone (STZ) theory of plasticity where the total STZ population is determined by an effective temperature and compares it to experimental results…
Thermoelectric properties in topological insulator Bi2Se3 are explored with multifaceted strategies, i.e., hybrid functional with strain and artificial intelligence methodology. The assessment with the experimental band gap values…
Thermoelectric (TE) materials seamlessly convert thermal into electrical energy and vice versa, making them promising for applications such as power generation or cooling. Although historically the TE effect was first discovered in metals,…
We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional (2D) transition metal dichalcogenide (TMDC) WS2 based on the experimentally prepared WS2/WSe2 lateral superlattice (LS) crystal. On the…
Based on density functional theory (DFT), we investigate the electronic properties of bulk and single-layer ZrTe$_4$Se. The band structure of bulk ZrTe$_4$Se can produce a semimetal-to-topological insulator (TI) phase transition under…
Efficiency of thermoelectric materials is characterized by the figure of merit Z. Z has been believed to be a peculiar material constant. However, the accurate measurements in the present work reveal that Z has large size dependence and a…
Thermoelectrics (TEs) are promising candidates for energy harvesting with performance quantified by figure of merit, $ZT$. To accelerate the discovery of high-$ZT$ materials, efforts have focused on identifying compounds with low thermal…
A DFT study of the synthesized MAX phase Zr2SeC has been carried out for the first time to explore its physical properties for possible applications in many sectors. The studied properties are compared with prior known MAX phase Zr2SC. The…
The strain effect on electronic structure and thermoelectric properties of Higher Manganese Silicides (HMSs) Mn4Si7 was studied using Density Functional Theory (DFT) and through solving Boltzman Transport Equation (BTE). We found that the…