相关论文: Unexpected band gap increase in the Fe2VAl Heusler…

Non-Fourier heat conduction models assume wave-like behavior does exist in the heat conduction process. Based on this wave-like behavior, thermal conduction controlled in a one-dimensional periodical structure, named thermal wave crystal,…

A GW calculation based on a truncated Coulomb interaction with an added small q limit was applied to 2D van der Waals heterolayered structures, and the Kane dispersion model was used to determine the accurate band gap edge. All ab initio…

Low temperature specific heat has been measured in superconductor $\beta$-FeS with T$_c$ = 4.55 K. It is found that the low temperature electronic specific heat C$_e$/T can be fitted to a linear relation in the low temperature region, but…

Besides its predicted promising high electron mobilities at room temperature, PtSe2 bandgap sensitively depends on the number of monolayers combined by van der Waals interaction according to our calculations. We understand this by using…

We study the structural, electronic, and magnetic properties of Co$_2$ZAl compounds employing a pseudopotential electronic bandstructure method. The stability of the compounds is established through the formation and cohesive energy…

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 electronic structures of TixZrx/2CoPbxTex, TixZrx/2Hfx/2CoPbxTex (x = 0.5), and the parent compound TiCoSb were investigated using the full potential linearized augmented plane wave method. The thermoelectric transport properties of…

The search for large band gap systems with dissipationless edge states is essential to developing materials that function under a wide range of temperatures. Two-dimensional (2D) topological insulators (TIs) have recently attracted…

In the quest of new thermoelectric (TE) materials with high power factors, full-Heusler compounds having flat band are found to be promising candidates. In this direction, Fe$_{2}$ScX (X=P,As,Sb) compounds are investigated using mBJ for the…

We present thermal conductivity and specific heat measurements on MgB2 and Mg-AlB2 samples. Thermal properties have been analysed by using a two-gap model in order to estimate the gap amplitudes, D(0)p and D(0)s and the intra-band…

Heavily doped semiconductors are by far the most studied class of materials for thermoelectric applications in the past several decades. They have Seebeck coefficient values which are 2-3 orders of magnitude higher than metals, making them…

Fe$_{2}$VAl and Fe$_{2}$TiSn are full Heusler compounds with non-magnetic ground state. The two compouds are good thermoelectric materials. PBE and LDA(PW92) are the two most commonly used density functionals to study the Heusler compounds.…

Semiconducting half- and, to a lesser extent, full-Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting…

Thermoelectricity is a promising avenue for harvesting energy but large-scale applications are still hampered by the lack of highly-efficient low-cost materials. Recently, Fe$_2YZ$ Heusler compounds were predicted theoretically to be…

A relation between the energy of an elementary `insulating' excitation corresponding to the metal-insulator transition and the bandgap width in a semiconductor is obtained. An effect of atomic relaxation on the temperature and pressure…

The best thermoelectric materials are believed to be heavily doped semiconductors. The presence of a bandgap is assumed to be essential to achieve large thermoelectric power factor and figure of merit. In this work, we study HgTe as an…

EuM2As2 (M = Zn, Cd, In, Sn etc.) is an excellent material system for studying topological properties, which can be easily tuned by magnetism involved. Theoretical calculations predict gapped and flat bands in EuZn2As2 but gapless structure…

The development of thermoelectric devices faces not only the challenge of optimizing the Seebeck coefficient, the electrical and thermal conductivity of the active material, but also further bottlenecks when going from the thermoelectric…

Density functional theory within the local or semilocal density approximations (DFT-LDA/GGA) has become a workhorse in electronic structure theory of solids, being extremely fast and reliable for energetics and structural properties, yet…

Using time- and angle-resolved photoemission spectroscopy, we study the response of metallic single layer TaS$_2$ in the 1H structural modification to the generation of excited carriers by a femtosecond laser pulse. A complex interplay of…