相关论文: Unexpected band gap increase in the Fe2VAl Heusler…
Mechanical straining-induced bandgap modulation in two-dimensional (2D) materials has been confined to volatile and narrow modulation due to substrate slippage and poor strain transfer. We report the thermomechanical modulation of the…
Heusler compounds with six valence electrons per atom have attracted interest as thermoelectric materials owing to their semimetallic and semiconducting properties. Here, we theoretically and experimentally investigate electronic transport…
The bandgap and band bowing parameter of semiconductor alloys are calculated with a fast and realistic approach. The method is a dielectric scaling approximation that is based on a scissor approximation. It adds an energy shift to the…
It is shown that a structural transition in a metal is associated with the opening of the energy pseudogap in the electronic spectrum in a low-temperature phase below the transition temperature. A relation between the magnitude of the…
Van der Waals heterostructures (VDWHs) exhibit rich properties and thus has potential for applications, and charge transfer between different layers in a heterostructure often dominates its properties and device performance. It is thus…
We investigate optimal band structures in band-converged systems to achieve high zT using numerical calculations based on a virtual spectral conductivity model. We consider a two parabolic band system, in which multiple band parameters can…
PdTe is a superconductor with Tc ~4.25 K. Recently, evidence for bulk-nodal and surface-nodeless gap features has been reported in PdTe [Yang et al., Phys. Rev. Lett. 130, 046402 (2023)]. Here, we investigate the physical properties of PdTe…
Single-phase films of the full Heusler compound Fe2TiSi have been prepared by magnetron sputtering. The compound is found to be a semiconductor with a gap of 0.4eV. The electrical resistivity has a logarithmic temperature dependence up to…
The Weyl semimetal trigonal PtBi$_2$ has recently been identified as a promising candidate material for intrinsic topological surface superconductivity emerging from the Fermi arc states of the material with a sizeable superconducting gap.…
We present study of derivatives of current-voltage I(V) characteristics of point-contacts (PCs) based on Ba{1-x}Na{x}Fe2As2 (x=0.25) in the normal and superconducting state. The detailed analysis of dV/dI(V) data (also given in Appendix A)…
We investigate the tunneling conductance of Weyl semimetal with tilted energy dispersion by considering electron transmission through a p-n-p junction with one-dimensional electric and magnetic barrier. In the presence of both electric and…
In the quest of why there should be a single transition temperature in a multi-gapped system like Fe-based materials we use two band model for simplicity. The model comprises of spin density wave (SDW), orbital density wave (ODW) arising…
Renewable energy resources have emerged as the best alternatives to fossil fuel energy which are rapidly declining with time. Here, eight valence-electron count Half-Heusler(HH) alloys have been studied using reliable first principles…
Electronic structures of FeSi and Fe$_{1.02}$Si$_{0.98}$ under pressure (achieved through volume compression) have been investigated by using DFT+DMFT and KKR-CPA methods, respectively. The widening of band-gap with increasing pressure…
The thermal conductivity $\kappa (H,T)$ of the new superconductor $MgB_2$ was studied as a function of the temperature and a magnetic field. No anomaly in the thermal conductivity $\kappa (H,T)$ is observed around the superconducting…
In this work, we have studied the electronic structure of a promising thermoelectric half-Heusler FeVSb using FP-LAPW method and SCAN meta-GGA including spin-orbit coupling. Using the obtained electronic structure and transport calculations…
The optical properties of the heavy-fermion compound UPd$_2$Al$_3$ have been measured in the frequency range from 0.04 meV to 5 meV (0.3 to 40 cm$^{-1}$) at temperatures $2 {\rm K}<T< 300$ K. Below the coherence temperature $T^*\approx 50$…
Black Phosphorus (BP) has gained renewed attention due to its singular anisotropic electronic and optical properties that might be exploited for a wide range of technological applications. In this respect, the thermal properties are…
We investigate the role of temperature on the topological insulating state of metal dichalcogenide monolayers, 1T$^\prime$-MX$_2$ (M=W, Mo and X=S, Se). Using first principles calculations based on density functional theory, we consider…
We performed the first-principles calculation on common thermoelectric semiconductors $\rm Bi_2Te_3$, $\rm Bi_2Se_3$, $\rm SiGe$, and $\rm PbTe$ in bulk three-dimension (3D) and two-dimension (2D). We found that miniaturization of materials…