Orientation dependence in high harmonics of ZnO with polarization corrections to counteract the birefringent effect

We investigate the influence of the birefringence on the high-order harmonics in an a-cut Zn O crystal with midinfrared laser pulses. The high harmonics exhibit strong dependence on the alignment of the crystal with respect to the laser polarization. We introduce the Jones calculus to counteract the birefringent effect and obtain the harmonics with polarization corrections in Zn O. We show that the birefringent effect plays an important role in the orientation dependence of HHG.     

Electric potential and energy band in ZnO nanofiber tuned by local mechanical loading

Recent success in strain engineering has triggered tremendous interest in its study and potential applications in nanodevice design. In this paper, we establish a coupled piezoelectric/semiconducting model for a wurtzite structure ZnO nanofiber under the local mechanical loading. The energy band structure tuned by the local mechanical loading and local length is calculated via an eight-band k·p method, which includes the coupling of valance and conduction bands. Poisson's effect on the distribution of electric potential inversely depends on the local mechanical loading. Numerical results reveal that both the applied local mechanical loading and the local length exhibit obvious tuning effects on the electric potential and energy band. The band gap at band edges varies linearly with the applied loading. Changing the local length shifts the energy band which is far away from the band edges. This study will be useful in the electronic and optical enhancement of semiconductor devices.     

Unconditionally optimal convergence of an energy-conserving and linearly implicit scheme for nonlinear wave equations

In this paper, we present and analyze an energy-conserving and linearly implicit scheme for solving the nonlinear wave equations. Optimal error estimates in time and superconvergent error estimates in space are established without certain time-step restrictions. The key is to estimate directly the solution bounds in the H²-norm for both the nonlinear wave equation and the corresponding fully discrete scheme, while the previous investigations rely on the temporal-spatial error splitting approach. Numerical examples are presented to confirm energy-conserving properties, unconditional convergence and optimal error estimates, respectively, of the proposed fully discrete schemes.

     

Yield enhancement of elliptical high harmonics driven by bicircular laser pulses

We theoretically investigate the yield enhancement of elliptical high harmonics in the interaction of molecules with bicircular laser pulses by solving the time-dependent Schrödinger equation. It is shown that by adjusting the relative intensity ratio of the two bicircular field components in specific ranges the yield of the molecular high harmonics for the plateau and cutoff regions can be respectively enhanced. To analyze this enhancement phenomenon, we calculate the weights of the electron classical trajectories. Additionally, we also study the ellipticity distribution of harmonics for different intensity ratios. We find that these enhanced harmonics are elliptically polarized, which we mainly attribute to the recombination dipole moment of the major weighted trajectories. These enhanced elliptical extreme ultraviolet and soft x-ray radiations may serve as essential tools for exploring the ultrafast dynamics in magnetic materials and chiral media.     

Synthesis and properties of novel N,C,N terdentate skeleton based on 1,3-di(pyridin-2-yl)benzene moiety-new tricks for old dogs

Utilization of intermolecular Friedel-Crafts and intramolecular condensation reaction,novel 1,3-di-(pyridine-2-yl)benzene(N,C,N terdentate) skeleton with electro-withdrawing group in 6' position of pyridyl and a cyclization between 6' position of pyridyl and 6 position of benzyl ring were firstly designed and synthesized.The structures of these novel N,C,N terdentate were confirmed by NMR,MS and X-ray single crystalanalyses.The photophysical properties of these compounds were briefly explored.     

Measurement of Residual Dipolar Couplings of Organic Molecules in Multiple Solvent Systems Using a Liquid-Crystalline-Based Medium

Residual dipolar coupling (RDC), a robust anisotropic NMR parameter for structural elucidation of organic molecules, is only accessible in an anisotropic environment. Herein, we introduce a novel alignment medium based on the molecular self-assembly of oligopeptide amphiphile (OPA). This medium is compatible with different intermediate and polar solvent systems, such as CD₃OD, [D₆]DMSO, and D₂O. The preparation of the OPA-based medium is simple and rapid, while only very weak background signals were observed from OPAs. Furthermore, we show that the purity of OPA has only a minor influence on the quality of the RDC data. These advantages allow RDC measurements of organic molecules with different polarities and solubilities with high efficiency and accuracy.     

Bogdanov-Takens Bifurcation in a Host-parasitoid Model

In this paper, we study a host-parasitoid model with Holling II Functional response, where we focus on a special case: the carrying capacity K2 for parasitoids is equal to a critical value r 1η. It is shown that the model can undergo Bogdanov-Takens bifurcation. The approximate expressions for saddle-node, Homoclinic and Hopf bifurcation curves are calculated. Numerical simulations, including bifurcation diagrams and corresponding phase portraits, are also given to illustrate the theoretical results.     

Interface effect between blue phosphorus and metals

The contacted properties of metal substrates with single layer (monolayer) blue phosphorus are calculated by first principles. We analyze the charge transfer, atomic orbital overlap, electronic properties and potential barrier at the interface of metal contacted blue phosphorene (BuleP) to understand how to effectively inject electrons from the metal into the contacted blue phosphorus. We inquire into interfacial effect of blue phosphorene directly in contact with five representative metallic substrates – Au (111), Ag(111), Al(111), Co(111) and Sc(0001), which are having minimal lattice mismatch with the BlueP. We find that the contact properties of these five metals are ohmic contact and schottky contact. Of the five different contact metals, Co-BlueP heterojunction has the best electrical conductivity. The lower SBH in the Al contact can also lead to a good substrate for a Schottky contact for the heterojunction. These results can provide guidance for the future design of BlueP-based electronic devices and for the exploration of new low-dimensional semiconductor transport processes.