The First-Principles Investigation of Structural Stability, Mechanical, Vibrational, Thermodynamic, and Optical Properties of CaHfS3 for Optoelectronic ApplicationRead the full article
Advances in Condensed Matter Physics publishes research on the experimental and theoretical study of the physics of materials in solid, liquid, amorphous, and exotic states.
Chief Editor, Professor Ulloa, is based at Ohio University and is a condensed matter theorist. His research is focussed on the electronic properties of nanostructures including quantum dots and nanowires, as well as proximity effects in 2D crystals.
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First-Principles Study of the Quasi-Particle and Excitonic Effect in o-BC2N: The GW + BSE Study
Ternary boron-carbon-nitride compounds are the hardest, chemically stable, and most applicable semiconductors in optoelectronic devices. We investigate the quasi-particle and excitonic properties of type II o-BC2N using many-body perturbation theory (MBPT). The state-of-the-art GW and BSE methods were used to determine the accurate band gap and excited-state characteristics of this material. We simulate the convergence test and structural optimization in DFT, which is the starting point for the GW calculation. We also compute the convergence test of the parameters in GW and BSE. As a result, the bandgap of our system is found to be 2.31 eV and 1.95 eV using the GW approximation and DFT-PBE, respectively. Since the valence and conduction band edges are located at different Brillouin zones, we decide that o-BC2N is an indirect bandgap semiconductor. In addition, by applying the scissor operator, we corrected the quasi-particle bandgap, which shows almost the same result as the GW approximation. Furthermore, using the BSE algorithm, we calculate the optical bandgap of type II o-BC2N to be 4.0 eV with the excitonic effect and 4.4 eV without the excitonic effect. The highest peaks of the imaginary dielectric function with the excitonic effect shift to a lower energy level at 11 eV than without the excitonic effect at 13.5 eV. The electron charge distribution is computed by fixing the hole position. Finally, we suggest that type II o-BC2N is promising for the application of optoelectronic semiconductors.
Photodetector Based on Titanium Oxide Nanoparticles Produced via Pulsed Laser Ablation
TiO2 nanoparticles (NPs) were produced via utilized nanosecond laser ablation of titanium in water. The description of these NPs was employed utilizing XRD, SEM, and UV-VIS. Then, optoelectronic properties were investigated via a drop-casting of TiO2 NPs on the Si wafer substrate. XRD results show the formation of anatase TiO2. The SEM exhibits a spherical shape with sizing changing from 5 nm to 50 nm. The bandgap was 3.6 eV which was determined from the Tauc chart. The IV characteristic of the TiO2NPs/Si heterojunction showed good rectifying behaviour, with a maximum responsivity of about 0.7 A/W at 310 nm.
Structural and Morphological Properties of Single and Mixed Halide Pb-Based Perovskites
Single and mixed-halide perovskite solar cells have attracted much research attention in recent years due to the conditions of low-cost thin film solar cell technology. For this current research, perovskite materials CH3NH3PbCl3, CH3NH3PbI2Cl, CH3NH3PbICl2, and CH3NH3PbI3 have been synthesized and deposited on clean glass substrates by spin coating process. The structural and morphological properties of the prepared thin films have been studied by X-ray diffraction and Scanning electron microscopy. All the perovskite showed fine crystallinity, possessing a tetragonal phase. The average crystallite sizes of the prepared samples are obtained to be 20.77 nm, 30.18 nm, 31.11 nm, and 42.23 nm, respectively. The lattice strain decreased with increasing crystallite size. A drastic change was observed in the morphological properties of the perovskites. The perovskite grains change from microrods to microcube by substituting iodine with chlorine ions.
Enhanced Light Emission from Type-II Red InGaN/GaNSb/GaN Quantum-Well Structures
Electronic and optical properties of type-II InGaN/GaNSb/GaN quantum-well (QW) structures are investigated by using the multiband effective mass theory for potential applications in red light-emitting diodes. The heavy-hole effective mass around the topmost valence band is not affected much by the insertion of the GaNSb layer, and the optical matrix elements are greatly increased by the inclusion of the GaNSb layer in the InGaN/GaN QW structure. As a result, the type-II InGaN/GaNSb/GaN QW structure shows a much larger emission peak than the conventional type-I QW structure owing to the decrease in spatial separation between electron and hole wavefunctions, in addition to the reduction of the effective well width. It is also observed that the In content in InGaN well can be significantly reduced for the type-II QW structure with a large Sb content, compared to that for the type-I QW structure.
Thermal Spin Transport Properties in Diarylethene-Based Molecule Devices
Spin caloritronic devices, as multifunctional devices, combining spintronics, and caloritronics, are essential for the sustainable development of humans. Here, a novel spin caloritronic device is presented using a diarylethene molecule photoswitch sandwiched among two semi-infinite zigzag graphene nanoribbons containing asymmetrical edge hydrogenation electrodes. We demonstrate that the temperature gradient between the right and the left electrodes can generate spin-up (SU) and spin-down (SD) currents moving in opposite orientations. Moreover, the mentioned currents possess approximately the same magnitudes, indicating a nearly nondissipative spin Seebeck effect. We also find that these currents are significantly dissimilar for the two photochromic isomers at different temperature gradients, demonstrating the excellent system’s switching nature. The obtained results reveal that the light can control the thermal spin transport properties.
Dielectric and Impedance Spectroscopic Investigation of (3-Nitrophenol) -2,4,6-Triamino-1,3,5- Triazine: An Organic Crystalline Material
This article presents the investigation of dielectric and impedance spectroscopic properties of an organic product of 3-nitrophenol -2,4,6-tri amino-1,3,5- triazine (3NPTAT) single crystal, synthesized from melamine and m-nitrophenol. Comprehensive dielectric studies and charge transportation properties of the grown 3NPTAT crystal are given. The dielectric characteristics of the specimen were carried out in the frequency range of 50 Hz and 5 MHz at different temperatures, namely, 313 K, 333 K, 353 K, and 373 K. From the spectra, it was observed that the slowdown occurs at low temperatures, and the hopping mechanism takes place based on localized charge carriers. The impedance spectroscopic results indicate that there is a single relaxation process that occurs at high frequencies. The variation detected in the material properties of 3NPTAT corresponding to the temperature and frequency has been discussed in detail.