Published in Nanotechnology
The efficiency of thermoelectric (TE) technology relies on the performance of TE materials. Substitution with heavy elements is an effective strategy in TE for enhancing phonon scattering without much affecting electrical transport properties. However, selecting suitable dopants to achieve a high TE figure-of-merit (ZT) poses a significant challeng...
Published in Physica Scripta
Halide perovskite materials have recently gained worldwide attention since they offer a new cost-effective way to generate renewable and green energy. In the current work, the structural, electrical, elastic, optical and thermoelectric properties of new perovskites CsInZrX6 (I, Cl and Br) were explored by density-functional theory (DFT). The result...
Published in Journal of Physics: Condensed Matter
Using both first principles and analytical approaches, we investigate the role of a transverse electric field in tuning the electrical, thermoelectric, optical and transport properties of a buckled tetragonal silicene (TS) structure. The transverse electric field transforms the linear spectrum to parabolic at the Fermi level and opens a band gap. T...
Published in Pure and Applied Chemistry
All current theories concerning the conductivity of polyelectrolytes ignore the dielectric friction effect undergone by the polyion chains according to their conformation. Indeed, Manning’s theory is limited to the case of stretched chains and only takes into account hydrodynamic, electrophoretic and ionic frictions; while scaling approach theories...
Published in Journal of Physics: Condensed Matter
Bi2Te3, an archetypical tetradymite, is recognised as a thermoelectric (TE) material of potential application around room temperature. However, large energy gap (ΔEc ) between the light and heavy conduction bands results in inferior TE performance in pristine bulk n-type Bi2Te3. Herein, we propose enhancement in TE performance of pristine n-type Bi...
Published in Journal of Physics: Condensed Matter
Sb2Te3, a binary chalcogenide-based 3D topological insulator, attracts significant attention for its exceptional thermoelectric performance. We report the vibrational properties of magnetically doped Sb2Te3 thermoelectric material. Ni doping induces defect/disorder in the system and plays a positive role in engineering the thermoelectric properties...
Published in Electronic Structure
The point defects induced in crystalline solids during the growth process unintentionally or doped intentionally after the growth process significantly modify their properties. The intentionally controlled doping of point defects in crystalline solids has been widely used to tune their properties. In this paper, we investigate the effect of vacancy...
Published in Journal of Physics D: Applied Physics
Two-dimensional (2D) semiconductors have shown great prospects for future-oriented optoelectronic applications, whereas the applications of conventional 2D materials are significantly impeded by their low electron mobility (⩽200 cm2 V−1 s−1). In this work, strain-mediated fluorine- and hydrogen-passivated 2D Ga2O3 systems (FGa2O3H) have been explor...
Published in Journal of Physics: Condensed Matter
We investigate the magnetic and transport properties of a kagome magnet YbMn6Sn6. We have grown YbMn6Sn6 single crystals having a HfFe6Ge6 type structure with ordered Yb and Sn atoms, which is different from the distorted structure previously reported. The single crystal undergoes a ferromagnetic phase transition around 300 K and a ferrimagnetic tr...
Published in Plasma Physics and Controlled Fusion
Measurements of fluctuating floating potentials and ion saturation currents at different radial locations in the Santander Linear Plasma Machine (Castellanos et al 2005 Plasma Phys. Control. Fusion 47 2067) and at the edge of the W7-AS stellarator by means of radially movable Langmuir probes allow to infer the corresponding fluctuation-induced radi...
