The electro-optical properties of Indium Selenide/Black Arsenic Phosphorus (InSe/α-AsP) van der Waals heterojunction have been systematically investigated by using first-principles calculations. The presented two-dimensional (2D) heterojunction possesses a narrow direct bandgap (1.07 eV), with a high absorption coefficient in the infrared region and a cutoff wavelength of ~2 μm. Type-II band alignment

The linewidth enhancement factor of wurtzite (WZ) hybrid green InGaN/MgZnO quantum well (QW) lasers with zero internal field was investigated theoretically by using a non-Markovian gain model with many-body effects. These results are compared with those for WZ conventional InGaN/GaN QW structures. For both QW structures, the linewidth enhancement factor gradually increases with increasing peak-gain

In this paper, we study theoretically both dynamical and static charge susceptibilities of zigzag boron-nitride nanotube due to the effects of electron-phonon interaction. One can find the plasmonic oscillation modes of the system using the imaginary part of the dynamical charge susceptibility function. For this purpose, we implement Green's function approach in the context of the Holstein model Hamiltonian

In this work, we presented a workable scheme to induce valley polarized current in a graphene junction with circularly polarized light and carrier mass. A non-linear effect of the circularly polarized light opens a gap in the Dirac cone. The mass term corresponding to a symmetry-breaking perturbation admits a band gap. The result shows that a valley-dependent energy gap can be opened in the presence

Two-dimensional (2D) materials have attracted tremendous research interest because of their unique optical, electronic, and mechanical properties which make them suitable building blocks for various electronic and optoelectronic applications. The heterostructures formed by 2D semiconductors can play an important role in modern semiconductor industry. Here, we have grown 2D-CdSe structures over MoS2

Single-atom catalyst (SAC) have received increasing attention in the field of CO oxidation due to their higher catalytic activity and greater atomic utilization. The CO oxidation by O2 on the single Rh atom embeddedover Graphdiyne (Rh-GDY) is systematically studied by using the first principles simulation. It is found that Rh atom can be stably and isolated in the GDY as a single metal atom binding

Edge contact between two-dimensional materials and metal can achieve small contact resistance because of strong interaction. In this work, we study the electronic properties of in-plane black phosphorus (BP) based heterojunctions with graphene (Gra) and boropheneβ12 (Boroβ12) electrodes using first principle calculations. The small Schottky barrier along zigzag direction of BP is shown in Gra/BP/Gra

A flux transformer, consisting of a superconducting primary loop (pick-up loop) in series with a superconducting secondary loop on which measurement is done, is considered to optimize the approach and sensitivity of the Superconducting QUantum Interference Device (SQUID). Performance of such a pick-up loop placed above a magnetic particle is investigated using the numerical Ginzburg-Landau (GL) simulations

Freezing of polymer solutions has been extensively investigated from many aspects, especially the complex pattern formation. The cellular/dendritic microstructures occurred in freezing of polymer solutions are usually believed to belong to the type of diffusion-induced Mullins–Sekerka (M − S) instability. However, the presence of macromolecule as an impurity in water is significantly different from

Cu incorporated ZnS-PVA thin films at different concentration of Cu (0.5, 1, 5, 10 and 15% by volume) have been synthesized by solvent casting followed by thermolysis technique. X- Ray diffraction (XRD) studies revealed that the as-prepared thin films are nanocrystalline and possesses cubic phase with preferred orientation along (111) plane. The XRD peak intensity of the films decreases significantly

Phosphors with the compositions of Ca2−xEuxMgSi2O7 (x=0.005, 0.015, 0.025, 0.035, and 0.045) are synthesized in a reduction atmosphere (5% H2 + 95% N2) using a solid-state reaction method. At first, the Ca1.975Eu0.025MgSi2O7 powder is synthesized at 1350∘C with a duration of 1∼6 h to find the optimum synthesizing time. SEM images show that the particle sizes increase with synthesizing time and as the

In this paper, a first-principles calculation method based on density functional theory is used to study the effect of substitutional doping of Au, Ag, and Cu at Mo site on the magnetic properties of the single-layer MoS2 system. It is found that the Au, Ag, and Cu-doped systems can all exhibit ferromagnetic properties at room temperature. The calculation of defect formation energy and hybrid orbital

In this research, we will show that as the flow rates of CF4 (CF4/(Ar+CF4)) are different, the optical, crystal, and electrical properties of FZO films have large variations. At first, ZnO target is prepared by ourselves, the radio frequency (RF) magnetron sputtering is used as a method for the deposition of FZO films, and different flow rates of CF4 gas is introduced into the chamber during the deposition

Hydrophobic antireflective coating is fabricated by physical vapor deposition. The optical, contact angle and laser damage resistance properties are investigated, respectively. The transmittance of the antireflective coating with hydrophobic layer is 99.58% at 1064 nm with normal incidence. The contact angle with water is 115.6∘. The laser damage threshold of the zero probability is 22 J/cm2 at 1064 nm

This paper focuses on the instability modulation and new travelling wave solutions of the (2 + 1)-dimensional Kundu–Mukherjee–Naskar equation via the tanh function method. Dark, mixed dark–bright, complex solitons and periodic wave solutions are archived. Strain conditions for the validity of results are also reported. Instability modulation properties of the governing model are also extracted. Various

Batı and Ertaş [Physica B513 (2017) 40] presented a study of dynamic magnetic hysteresis loop properties (DMHLFs) of a mixed spin (1/2, 1) Ising system (IS) on a hexagonal lattice within the mean-field theory based on the Glauber dynamics approach. They observed a number of interesting DMHLFs. We extended the investigation of DMHLFs of a mixed spin (1/2, 1) IS on a hexagonal lattice using the path

First-principles calculations were used to investigate the stability, electronic structure, elastic and lattice thermal conductivity of FeS and FeS2 polymorphs (α-FeS, β-FeS, γ-FeS, α-FeS2, β-FeS2). The calculated lattice parameters were in agreement with experimental results. The results showed that these Fe-S binary compounds are thermodynamically and mechanically stable. The elastic anisotropies

Free rotating chain (FRC) is a well-known model of polymer but the knowledge to its mechanical property is yet incomplete. This work uses Monte Carlo simulation to evaluate the relation between force and extension, the specific heat, the stretching strength and the fourth-order cumulants of the order parameter of a three-dimensional (3D) FRC. We simplify some expressions to calculate the thermodynamical

Mo(Si, Al)2 coatings were synthesized through hot dipping of Mo rods into a commercial Al-12 wt.% Si alloy melt in the temperature range of 750 to 950 °C for 15 to 150 min. The structure of the coatings was characterized by X-ray diffraction analysis. In addition, optical and scanning electron microscopes along with energy dispersive spectroscopy were employed for microstructural and chemical analyses

Thin films of the natural semiconductor indigo have been grown on Si/SiO2 substrates by physical vapour deposition under ultra-high vacuum conditions, monitoring the influence of the deposition rate on structure, morphology and thickness. This was done to allow well-defined films to be made in a controlled way, suitable for the manufacture of organic devices and the investigation of charge transport

The SiC hetero-polytypes with perfect interfaces and no diffusion pollution are adopted to innovatively design the impact ionization avalanche transit-time (IMPATT) diodes. The performance of DC, large-signal and noise of the proposed diodes operating at the atmospheric low-loss window frequency 0.85 THz are estimated via numerically solving the fundamental device equations with and without quantum

Binary transition metal oxides have received extensive attraction as anode in lithium ion batteries because of their high theoretical capacities and synergistic effect of the two metal elements. In this work, CNTs embedded in Sb2MoO6@C hollow spheres are successfully fabricated through solvothermal process accompanied by sintering treatment. Benefiting from the hierarchical architecture and the conductive

The structure, electronic, elasticity and thermodynamic properties, phonon spectra of Be12V alloy under high temperatures and pressure are investigated by using first-principles calculations based on pseudo-potential plane-wave density functional theory method within using the generalized gradient approximation (GGA) and quasi-harmonic Debye model. The results show that the calculated equilibrium structural

Polar optical phonon assisted momentum relaxation, power dissipation and spin relaxation are studied in GaAs. We adopt the drifted Maxwellian approach in the investigation, where the hot phonons are incorporated via the longitudinal polar optical phonon mechanism in the momentum relaxation. Stating from the rate of change of phonon occupancy in a relaxation time approximation, the hot phonon generation

Schottky barrier is a fundamental issue when n‐type transparent conductive oxide (TCO) is contacted with p‐type hydrogenated amorphous silicon (p‐a‐Si:H) in silicon heterojunction (SHJ) solar cells. This study finds that the hydrogen (H) atoms in p‐a‐Si:H diffuse into tungsten doped indium oxide (IWO) during an annealing process, which improves the electric properties of both IWO films and p‐a‐Si:H/IWO

Classical molecular dynamics simulations are employed to investigate the three‐dimensional evolution of stacking faults (SFs), including the partial dislocation (PD) loops enclosing them, during growth of 3C‐SiC layers on Si(001). It is shown that the evolution of single PD loops releasing tensile strain during the initial carbonization stage, commonly preceding 3C‐SiC deposition, leads to the formation

We investigate the theoretical error rates in deterministic ion implantation, when using an ion beam governed by a Poisson point process with a detector that counts the impacts. We conclude that if the error rates are small, then for spots with nominally one implanted ion the probability of failure to implant the correct number is approximately κ / λ + η ¯ + λ / 2 for a synchronous (i.e. pulsed) system

We investigate the magnetic properties of triangular silicene, silicon carbide, Si2BN, and their heterostructures using first principles calculations. Hydrogenation of surface Si atoms significantly enhances the net spin of silicene to 3n/2, n is the number of edge atoms, with perfect distribution only on the zigzag edges. The attached hydrogen prevents π-bonds formation between surface and edge Si-atoms