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In the present paper, we theoretically address and predict the magnetic properties of monolayer phosphorene under different triaxial strains. For this purpose, we use the tight-binding Hamiltonian model and the Harrison rule aiming at studying the strain-induced phosphorene structure. Our findings indicate how the electronic phase transition is related to the magnetic phase transition in phosphorene. The details of this connection are extracted from the bandgap-dependent Neel temperature of the antiferromagnetic ground state phase as well as the state degeneracy-dependent Pauli spin paramagnetic susceptibility. We found that phosphorene keeps its semiconductor nature for the uniform and nonuniform triaxial strains (both compressive and tensile strains), resulting in no magnetic phase transition, whereas the in-plane uniform triaxial strains lead to a semiconductor-to-semimetal and consequently an antiferromagnetic-to-ferromagnetic phase transition on average. Furthermore, we show that the armchair edge possesses the most contribution to the electronic and magnetic phases of monolayer phosphorene. These results provide useful information for future experimental research studies in both optoelectronic and spintronic applications. [ABSTRACT FROM AUTHOR]

Siligraphene belonging to the family of two-dimensional (2D) materials has great potential in optoelectronics due to its considerable excitonic effects. In this study, the strain effects on the electronic structure and the real-space exciton wave functions of g - SiC 7 are investigated using the first-principles calculations based on the ab initio many-body perturbation theory. Alongside the increase (decrease) of the bandgap with compressive (tensile) strain, our results show that the exciton in the siligraphene monolayer under in-plane biaxial compressive strains is much more localized than that in the case of tensile one, leading to the higher and lower exciton binding energies, respectively. Moreover, the π ↦ π and π ↦ σ exciton state transition emerges when applying the compressive and tensile strains, respectively. Overall, our study reveals that a desirable way to dissociate the electron-hole coupling and to reduce the electron-hole recombination process is applying "in-plane biaxial tensile strain," making g - SiC 7 an excellent potential functional 2D semiconductor in optoelectronics. [ABSTRACT FROM AUTHOR]

In the present paper, we theoretically study the impacts of "dilute" charged impurity, perpendicular electric field, and the Zeeman magnetic field on the magnetic phase of Bernal bilayer phosphorene (BLP) along both armchair (AC) and zigzag (ZZ) directions. In so doing, we use the tight-binding Hamiltonian model, the Born approximation, and the Green's function approach. Overall, originating from the inherent anisotropic property of phosphorene, we found that the value of susceptibility along the ZZ direction is larger than the AC direction. Also, dilute charged impurity infected BLP suffers from an antiferromagnetic–paramagnetic–ferromagnetic magnetic phase transition depending on the impurity concentration, whereas the susceptibility increases with impurity scattering potential and converges at strong enough potentials. In addition, our results show that applying a perpendicular electric field leads to an antiferromagnetic–paramagnetic–ferromagnetic transition as well. On the other hand, it is observed that the susceptibility fluctuates around a critical Zeeman magnetic field. These findings provide basic information for future experimental researches and spintronic applications of impurity-infected BLP in the presence of electric and magnetic fields. [ABSTRACT FROM AUTHOR]

The anisotropic frequency-dependent optical conductivity of single-layer puckered phosphorene is studied, and also its dependence on the electrostatic gating of the top and bottom sublayers. The effective Hamiltonian within the k → ⋅ p → approximation is used to obtain the electronic band structure from which the interband optical transitions are evaluated using the Kubo formula. Inherent asymmetry in the dispersion energy of carriers along the armchair and zigzag edges gives rise to anisotropic optical features. The bandgap increases with gate voltage resulting in absorption at higher optical energies along the armchair edge, which is the so-called blue shift, while along the zigzag edge such a shift is not significant. The temperature and exciton effects on the interband response are concisely discussed. These results provide new insights which render phosphorene attractive for optoelectronic devices. [ABSTRACT FROM AUTHOR]

There are inadvertent errors in the HT ht axis label of Figs. IV B. The HT ht axis labels typed are HT ht (electron volts) and HT ht (electron volts) in Figs. 2(b) and 6, respectively, instead of HT ht (electron volts) and HT ht (electron volts). [Extracted from the article]

Siligraphene belonging to the family of two-dimensional (2D) materials has great potential in optoelectronics due to its considerable excitonic effects. In this study, the strain effects on the electronic structure and the real-space exciton wave functions of g - SiC 7 are investigated using the first-principles calculations based on the ab initio many-body perturbation theory. Alongside the increase (decrease) of the bandgap with compressive (tensile) strain, our results show that the exciton in the siligraphene monolayer under in-plane biaxial compressive strains is much more localized than that in the case of tensile one, leading to the higher and lower exciton binding energies, respectively. Moreover, the π ↦ π and π ↦ σ exciton state transition emerges when applying the compressive and tensile strains, respectively. Overall, our study reveals that a desirable way to dissociate the electron-hole coupling and to reduce the electron-hole recombination process is applying "in-plane biaxial tensile strain," making g - SiC 7 an excellent potential functional 2D semiconductor in optoelectronics. [ABSTRACT FROM AUTHOR]