A sensitive survey for 13CO, CN, H2CO and SO in the disks of T Tauri and Herbig Ae stars

We use the IRAM 30-m telescope to perform a sensitive search for CN N=2-1 in 42 T Tauri or Herbig Ae systems located mostly in the Taurus-Auriga region. $^{13}$CO J=2-1 is observed simultaneously to indicate the level of confusion with the surrounding molecular cloud. The bandpass also contains two transitions of ortho-H$_2$CO, one of SO and the C$^{17}$O J=2-1 line which provide complementary information on the nature of the emission. While $^{13}$CO is in general dominated by residual emission from the cloud, CN exhibits a high disk detection rate $> 50$% in our sample. We even report CN detection in stars for which interferometric searches failed to detect $^{12}$CO, presumably because of obscuration by a foreground, optically thick, cloud. Comparison between CN and o-H$_2$CO or SO line profiles and intensities divide the sample in two main categories. Sources with SO emission are bright and have strong H$_2$CO emission, leading in general to [H$_2$CO/CN]$> 0.5$. Furthermore, their line profiles, combined with a priori information on the objects, suggest that the emission is coming from outflows or envelopes rather than from a circumstellar disk. On the other hand, most sources have [H$_2$CO/CN]$< 0.3$, no SO emission, and some of them exhibit clear double-peaked profiles characteristics of rotating disks. In this second category, CN is likely tracing the proto-planetary disks. From the line flux and opacity derived from the hyperfine ratios, we constrain the outer radii of the disks, which range from 300 to 600 AU. The overall gas disk detection rate (including all molecular tracers) is $\sim 68$, and decreases for fainter continuum sources. This study shows that gas disks, like dust disks, are ubiquitous around young PMS stars in regions of isolated star formation, and that a large fraction of them have $R > 300$ AU.Comment: 31 pages (including 59 figures

Image-charge induced localization of molecular orbitals at metal-molecule interfaces: Self-consistent GW calculations

Quasiparticle (QP) wave functions, also known as Dyson orbitals, extend the concept of single-particle states to interacting electron systems. Here we employ many-body perturbation theory in the GW approximation to calculate the QP wave functions for a semi-empirical model describing a $\pi$-conjugated molecular wire in contact with a metal surface. We find that image charge effects pull the frontier molecular orbitals toward the metal surface while orbitals with higher or lower energy are pushed away. This affects both the size of the energetic image charge shifts and the coupling of the individual orbitals to the metal substrate. Full diagonalization of the QP equation and, to some extent, self-consistency in the GW self-energy, is important to describe the effect which is not captured by standard density functional theory or Hartree-Fock. These results should be important for the understanding and theoretical modeling of electron transport across metal-molecule interfaces.Comment: 7 pages, 6 figure

Sensitive survey for 13CO, CN, H2CO, and SO in the disks of T Tauri and Herbig Ae stars II: Stars in ρ\rho Oph and upper Scorpius

We attempt to determine the molecular composition of disks around young low-mass stars in the $\rho$ Oph region and to compare our results with a similar study performed in the Taurus-Auriga region. We used the IRAM 30 m telescope to perform a sensitive search for CN N=2-1 in 29 T Tauri stars located in the $\rho$ Oph and upper Scorpius regions. $^{13}$CO J=2-1 is observed simultaneously to provide an indication of the level of confusion with the surrounding molecular cloud. The bandpass also contains two transitions of ortho-H$_2$CO, one of SO, and the C$^{17}$O J=2-1 line, which provides complementary information on the nature of the emission. Contamination by molecular cloud in $^{13}$CO and even C$^{17}$O is ubiquitous. The CN detection rate appears to be lower than for the Taurus region, with only four sources being detected (three are attributable to disks). H$_2$CO emission is found more frequently, but appears in general to be due to the surrounding cloud. The weaker emission than in Taurus may suggest that the average disk size in the $\rho$ Oph region is smaller than in the Taurus cloud. Chemical modeling shows that the somewhat higher expected disk temperatures in $\rho$ Oph play a direct role in decreasing the CN abundance. Warmer dust temperatures contribute to convert CN into less volatile forms. In such a young region, CN is no longer a simple, sensitive tracer of disks, and observations with other tracers and at high enough resolution with ALMA are required to probe the gas disk population.Comment: 18 pages, 5 figures, accepted for publication in A&

Artifact of the phonon-induced localization by variational calculations in the spin-boson model

We present energy and free energy analyses on all variational schemes used in the spin-boson model at both T=0 and $T\neq0$. It is found that all the variational schemes have fail points, at where the variational schemes fail to provide a lower energy (or a lower free energy at $T\neq0$) than the displaced-oscillator ground state and therefore the variational ground state becomes unstable, which results in a transition from a variational ground state to a displaced oscillator ground state when the fail point is reached. Such transitions are always misidentied as crossover from a delocalized to localized phases in variational calculations, leading to an artifact of phonon-induced localization. Physics origin of the fail points and explanations for different transition behaviors with different spectral functions are found by studying the fail points of the variational schemes in the single mode case.Comment: 9 pages, 7 figure

The gap exponent of XXZ model in a transverse field

We have calculated numerically the gap exponent of the anisotropic Heisenberg model in the presence of the transverse magnetic field. We have implemented the modified Lanczos method to obtain the excited states of our model with the same accuracy of the ground state. The coefficient of the leading term in the perturbation expansion diverges in the thermodynamic limit (N --> infinity). We have obtained the relation between this divergence and the scaling behaviour of the energy gap. We have found that the opening of gap in the presence of transverse field scales with a critical exponent which depends on the anisotropy parameter (Delta). Our numerical results are in well agreement with the field theoretical approach in the whole range of the anisotropy parameter, -1 < Delta < 1.Comment: 6 pages and 4 figure

Efficient quantum transport simulation for bulk graphene heterojunctions

The quantum transport formalism based on tight-binding models is known to be powerful in dealing with a wide range of open physical systems subject to external driving forces but is, at the same time, limited by the memory requirement's increasing with the number of atomic sites in the scattering region. Here we demonstrate how to achieve an accurate simulation of quantum transport feasible for experimentally sized bulk graphene heterojunctions at a strongly reduced computational cost. Without free tuning parameters, we show excellent agreement with a recent experiment on Klein backscattering [A. F. Young and P. Kim, Nature Phys. 5, 222 (2009)].Comment: 5 pages, 3 figure

Electronic structure of the substitutional vacancy in graphene: Density-functional and Green's function studies

We study the electronic structure of graphene with a single substitutional vacancy using a combination of the density-functional, tight-binding, and impurity Green's function approaches. Density functional studies are performed with the all-electron spin-polarized linear augmented plane wave (LAPW) method. The three $sp^2 \sigma$ dangling bonds adjacent to the vacancy introduce localized states (V$\sigma$) in the mid-gap region, which split due to the crystal field and a Jahn-Teller distortion, while the $p_z \pi$ states introduce a sharp resonance state (V$\pi$) in the band structure. For a planar structure, symmetry strictly forbids hybridization between the $\sigma$ and the $\pi$ states, so that these bands are clearly identifiable in the calculated band structure. As for the magnetic moment of the vacancy, the Hund's-rule coupling aligns the spins of the four localized V$\sigma_1 \uparrow \downarrow$, V$\sigma_2 \uparrow$, and the V$\pi \uparrow$ electrons resulting in a S=1 state, with a magnetic moment of $2 \mu_B$, which is reduced by about $0.3 \mu_B$ due to the anti-ferromagnetic spin-polarization of the $\pi$ band itinerant states in the vicinity of the vacancy. This results in the net magnetic moment of $1.7 \mu_B$. Using the Lippmann-Schwinger equation, we reproduce the well-known $\sim 1/r$ decay of the localized V$\pi$ wave function with distance and in addition find an interference term coming from the two Dirac points, previously unnoticed in the literature. The long-range nature of the V$\pi$ wave function is a unique feature of the graphene vacancy and we suggest that this may be one of the reasons for the widely varying relaxed structures and magnetic moments reported from the supercell band calculations in the literature.Comment: 24 pages, 15 figures. Accepted for publication in New Journal of Physic

Dynamical Masses of Low Mass Stars in the Taurus and Ophiuchus Star Forming Regions

We report new dynamical masses for 5 pre-main sequence (PMS) stars in the L1495 region of the Taurus star-forming region (SFR) and 6 in the L1688 region of the Ophiuchus SFR. Since these regions have VLBA parallaxes these are absolute measurements of the stars' masses and are independent of their effective temperatures and luminosities. Seven of the stars have masses $<0.6$ solar masses, thus providing data in a mass range with little data, and of these, 6 are measured to precision $< 5 \%$. We find 8 stars with masses in the range 0.09 to 1.1 solar mass that agree well with the current generation of PMS evolutionary models. The ages of the stars we measured in the Taurus SFR are in the range 1-3 MY, and $<1$ MY for those in L1688. We also measured the dynamical masses of 14 stars in the ALMA archival data for Akeson~\&~Jensen's Cycle 0 project on binaries in the Taurus SFR. We find that the masses of 7 of the targets are so large that they cannot be reconciled with reported values of their luminosity and effective temperature. We suggest that these targets are themselves binaries or triples.Comment: 20 page