QCD Factorization for Spin-Dependent Cross Sections in DIS and Drell-Yan Processes at Low Transverse Momentum

Based on a recent work on the quantum chromodynamic (QCD) factorization for semi-inclusive deep-inelastic scattering (DIS), we present a set of factorization formulas for the spin-dependent DIS and Drell-Yan cross sections at low transverse momentum.Comment: 12 pages, two figures include

A magnetohydrodynamic model for multi-wavelength flares from Sagittarius~A⋆^\star (I): model and the near-infrared and X-ray flares

Flares from the supermassive black hole in our Galaxy, Sagittarius~A$^\star$ (Sgr A$^\star$), are routinely observed over the last decade or so. Despite numerous observational and theoretical efforts, the nature of such flares still remains poorly understood, although a few phenomenological scenarios have been proposed. In this work, we develop the Yuan et al. (2009) scenario into a magnetohydrodynamic (MHD) model for Sgr A$^\star$ flares. This model is analogous with the theory of solar flares and coronal mass ejection in solar physics. In the model, magnetic field loops emerge from the accretion flow onto Sgr A$^\star$ and are twisted to form flux ropes because of shear and turbulence. The magnetic energy is also accumulated in this process until a threshold is reached. This then results in a catastrophic evolution of a flux rope with the help of magnetic reconnection in the current sheet. In this catastrophic process, the magnetic energy is partially converted into the energy of non-thermal electrons. We have quantitatively calculated the dynamical evolution of the height, size, and velocity of the flux rope, as well as the magnetic field in the flare regions, and the energy distribution of relativistic electrons in this process. We further calculate the synchrotron radiation from these electrons and compare the obtained light curves with the observed ones. We find that the model can reasonably explain the main observations of near-infrared (NIR) and X-ray flares including their light curves and spectra. It can also potentially explain the frequency-dependent time delay seen in radio flare light curves.Comment: 17 pages, 13 figures, accepted by MNRA

Fundamental Principles for Calculating Charged Defect Ionization Energies in Ultrathin Two-Dimensional Materials

Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are difficult to simulate with conventional first-principles methods, mainly because of the weak and anisotropic dielectric screening caused by the reduced dimensionality. We establish fundamental principles for accurate and efficient calculations of charged defect ionization energies and electronic structure in ultrathin 2D materials. We propose to use the vacuum level as the reference for defect charge transition levels (CTLs) because it gives robust results insensitive to the level of theory, unlike commonly used band edge positions. Furthermore, we determine the fraction of Fock exchange in hybrid functionals for accurate band gaps and band edge positions of 2D materials by enforcing the generalized Koopmans' condition of localized defect states. We found the obtained fractions of Fock exchange vary significantly from 0.2 for bulk $h$-BN to 0.4 for monolayer $h$-BN, whose band gaps are also in good agreement with experimental results and calculated GW results. The combination of these methods allows for reliable and efficient prediction of defect ionization energies (difference between CTLs and band edge positions). We motivate and generalize these findings with several examples including different defects in monolayer to few-layer hexagonal boron nitride ($h$-BN), monolayer MoS$_2$ and graphane. Finally, we show that increasing the number of layers of $h$-BN systematically lowers defect ionization energies, mainly through CTLs shifting towards vacuum, with conduction band minima kept almost unchanged

Switching and Rectification of a Single Light-sensitive Diarylethene Molecule Sandwiched between Graphene Nanoribbons

The 'open' and 'closed' isomers of the diarylethene molecule that can be converted between each other upon photo-excitation are found to have drastically different current-voltage characteristics when sandwiched between two graphene nanoribbons (GNRs). More importantly, when one GNR is metallic and another one is semiconducting, strong rectification behavior of the 'closed' diarylethene isomer with the rectification ratio >10^3 is observed. The surprisingly high rectification ratio originates from the band gap of GNR and the bias-dependent variation of the lowest unoccupied molecular orbital (LUMO) of the diarylethene molecule, the combination of which completely shuts off the current at positive biases. Results presented in this paper may form the basis for a new class of molecular electronic devices.Comment: The Journal of Chemical Physics 135 (2011