Domains of doping in graphene on polycrystalline gold: first-principles and scanning tunneling spectroscopy studies

We have studied the graphene/gold interface by means of density functional theory (DFT) and scanning tunneling spectroscopy (STS). Weak interaction between graphene and the underlying gold surface leaves unperturbed Dirac cones in the band-structure, but they can be shifted with respect to the Fermi level of the whole system, which results in effective doping of graphene. DFT calculations revealed that the interface is extremely sensitive to the adsorption distance and to the structure of metal's surface, in particular strong variation in doping can be attributed to the specific rearrangements of substrate's atoms, such as the change in the crystallographic orientation, relaxation or other modifications of the surface. On the other hand, STS experiments have shown the presence of energetic heterogeneity in terms of the changes in the local density of states (LDOS) measured at different places on the sample. Randomly repeated regions of zero-doping and p-type doping have been identified from parabolic shape characteristics and from well defined Dirac points, respectively. The doping domains of graphene on gold seem to be related to the presence of various types of the surface structure across the sample. DFT simulations for graphene interacting with Au have shown large differences in doping induced by considered structures of substrate, in agreement with experimental findings. All these results demonstrate the possibility of engineering the electronic properties of graphene, especially tuning the doping across one flake which can be useful for applications of graphene in electronic devices

Doping of graphene by a Au(111) substrate: Calculation strategy within the local density approximation and a semiempirical van der Waals approach

We have performed a density functional study of graphene adsorbed on Au(111) surface using both a local density approximation and a semiempirical van der Waals approach proposed by Grimme, known as the DFT-D2 method. Graphene physisorbed on metal has the linear dispersion preserved in the band-structure, but the Fermi level of the system is shifted with respect to the conical points which results in a doping effect. We show that the type and amount of doping depends not only on the choice of the exchange-correlation functional used in the calculations, but also on the supercell geometry that models the physical system. We analyzed how the factors such as the in-plane cell parameter and interlayer spacing in gold influence the Fermi level shift and we found that even a small variation in these parameters may cause a transition from p-type to n-type doping. We have selected a reasonable set of model parameters and obtained that graphene is either undoped or at most slightly p-type doped on the clean Au(111) surface, which seems to be in line with experimental findings. On the other hand, modifications of the substrate lattice may induce larger doping up to 0.30-0.40 eV depending on the graphene-metal adsorption distance. The sensitivity of the graphene-gold interface to the structural parameters may allow to tune doping across the samples which could lead to possible applications in graphene-based electronic devices. We believe that the present remarks can be also useful for other studies based on the periodic DFT

An improved single particle potential for transport model simulations of nuclear reactions induced by rare isotope beams

Taking into account more accurately the isospin dependence of nucleon-nucleon interactions in the in-medium many-body force term of the Gogny effective interaction, new expressions for the single nucleon potential and the symmetry energy are derived. Effects of both the spin(isospin) and the density dependence of nuclear effective interactions on the symmetry potential and the symmetry energy are examined. It is shown that they both play a crucial role in determining the symmetry potential and the symmetry energy at supra-saturation densities. The improved single nucleon potential will be useful for simulating more accurately nuclear reactions induced by rare isotope beams within transport models.Comment: 6 pages including 6 figures

On Spinors Transformations

We begin showing that for even dimensional vector spaces $V$ all automorphisms of their Clifford algebras are inner. So all orthogonal transformations of $V$ are restrictions to $V$ of inner automorphisms of the algebra. Thus under orthogonal transformations $P$ and $T$ - space and time reversal - all algebra elements, including vectors $v$ and spinors $\varphi$, transform as $v \to x v x^{-1}$ and $\varphi \to x \varphi x^{-1}$ for some algebra element $x$. We show that while under combined $PT$ spinor $\varphi \to x \varphi x^{-1}$ remain in its spinor space, under $P$ or $T$ separately $\varphi$ goes to a 'different' spinor space and may have opposite chirality. We conclude with a preliminary characterization of inner automorphisms with respect to their property to change, or not, spinor spaces.Comment: Minor changes to propositions 1 and

Observation of the fine structure for rovibronic spectral lines in visible part of emission spectra of D2D_2

For the first time in visible part of the $D_2$ emission spectrum the pseudo doublets representing partly resolved fine structure of rovibronic lines have been observed. They are characterized by splitting values about 0.2 cm$^{-1}$ and relative intensity of the doublet components close to 2.0. It is shown that they are determined by triplet splitting in lower rovibronic levels of various $^3\Lambda_g^\pm \to c^3\Pi_u^-$ electronic transitions. It is proposed to use an existence of such partly resolved fine structure patterns for identification of numerous unassigned spectral lines of the $D_2$ molecule coming from great variety of triplet "gerade" electronic states to vibro-rotational levels of the $c^3\Pi_u^-$ state.Comment: 6 pages, including 2 figures and 1 table; submitted to Phys.Rev.Let

Linear rigidity of stationary stochastic processes

We consider stationary stochastic processes X n , n ∈ Z such that X 0 lies in the closed linear span of X n , n = 0; following Ghosh and Peres, we call such processes linearly rigid. Using a criterion of Kolmogorov, we show that it suffices, for a stationary stochastic process to be rigid, that the spectral density vanish at zero and belong to the Zygmund class Λ * (1). We next give sufficient condition for stationary determinantal point processes on Z and on R to be rigid. Finally, we show that the determinantal point process on R 2 induced by a tensor square of Dyson sine-kernels is not linearly rigid

Spin polarized states in neutron matter at a strong magnetic field

Spin polarized states in neutron matter at a strong magnetic field are considered in the model with the Skyrme effective interaction (SLy4, SLy7 parametrizations). Analyzing the self-consistent equations at zero temperature, it is shown that a thermodynamically stable branch of solutions for the spin polarization parameter as a function of density corresponds to the negative spin polarization when the majority of neutron spins are oriented oppositely to the direction of the magnetic field. Besides, beginning from some threshold density being dependent on the magnetic field strength the self-consistent equations have also two other branches (upper and lower) of solutions for the spin polarization parameter with the positive spin polarization. The free energy corresponding to the upper branch turns out to be very close to the free energy corresponding to the thermodynamically preferable branch with the negative spin polarization. As a consequence, at a strong magnetic field, the state with the positive spin polarization can be realized as a metastable state at the high density region in neutron matter which under decreasing density at some threshold density changes into a thermodynamically stable state with the negative spin polarization. The calculations of the neutron spin polarization parameter and energy per neutron as functions of the magnetic field strength show that the influence of the magnetic field remains small at the field strengths up to $10^{17}$ G.Comment: Prepared with RevTeX4, 8pp., 5 figs; v.2: matches published versio