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The influence of hydrogen on magnetization is of significant interest to spintronics. Understanding and controlling this phenomenon at the atomic scale, particularly in nanoscale systems, is crucial. In this study, we utilized scanning tunneling microscopy (STM) combined with a nickelocene molecule to sense the spin of a hydrogen-loaded nanoscale Co island grown on Cu(111). Magnetic exchange maps obtained from the molecular tip revealed the presence of a hydrogen superstructure and a 90$^{\circ}$ rotation of the magnetization compared to the pristine island. \textit{Ab initio} calculations corroborate these observations, indicating that hydrogen hybridization with Co atoms on the island surface drives the spin reorientation of the island. This reorientation is further reinforced by hydrogen penetration into the island that locates at the Co/Cu interface. However, the subsurface sensitivity of the magnetic exchange maps indicate that this effect is limited. Our study provides valuable microscopic insights into the chemical control of magnetism at the nanoscale.

We use the SAMI Galaxy Survey to examine the drivers of galaxy spin, $\lambda_{R_e}$, in a multi-dimensional parameter space including stellar mass, stellar population age (or specific star formation rate) and various environmental metrics (local density, halo mass, satellite vs. central). Using a partial correlation analysis we consistently find that age or specific star formation rate is the primary parameter correlating with spin. Light-weighted age and specific star formation rate are more strongly correlated with spin than mass-weighted age. In fact, across our sample, once the relation between light-weighted age and spin is accounted for, there is no significant residual correlation between spin and mass, or spin and environment. This result is strongly suggestive that present-day environment only indirectly influences spin, via the removal of gas and star formation quenching. That is, environment affects age, then age affects spin. Older galaxies then have lower spin, either due to stars being born dynamically hotter at high redshift, or due to secular heating. Our results appear to rule out environmentally dependent dynamical heating (e.g. galaxy-galaxy interactions) being important, at least within $1R_e$ where our kinematic measurements are made. The picture is more complex when we only consider high-mass galaxies ($M_*\gtrsim 10^{11}$M$_{\odot}$). While the age-spin relation is still strong for these high-mass galaxies, there is a residual environmental trend with central galaxies preferentially having lower spin, compared to satellites of the same age and mass. We argue that this trend is likely due to central galaxies being a preferred location for mergers., Comment: 24 pages, 9 figures. Accepted for publication in MNRAS

Quantum sensing is a key component of quantum technology, enabling highly sensitive magnetometry. We combined a nickelocene molecule with scanning tunneling microscopy to perform versatile spin sensing of magnetic surfaces, namely of model Co islands on Cu(111) of different thickness. We demonstrate that atomic-scale sensitivity to spin polarization and orientation is possible due to direct exchange coupling between the Nc-tip and the Co surfaces. We find that magnetic exchange maps lead to unique signatures, which are well described by computed spin density maps. These advancements improve our ability to probe magnetic properties at the atomic level.

Depending on its adsorption conformation on the Au(111) surface, a zwitterionic single-molecule machine works in two different ways under bias voltage pulses. It is a unidirectional rotor while anchored on the surface. It is a fast-drivable molecule-vehicle (nanocar) while physisorbed. By tuning the surface coverage, the conformation of the molecule can be selected to be either rotor or nanocar. The inelastic tunneling excitation producing the movement is investigated in the same experimental conditions for both the unidirectional rotation of the rotor and the directed movement of the nanocar.

The combination of gas-phase oxygen abundances and stellar metallicities can provide us with unique insights into the metal enrichment histories of galaxies. In this work, we compare the stellar and gas-phase metallicities measured within a 1$R_{e}$ aperture for a representative sample of 472 star-forming galaxies extracted from the SAMI Galaxy Survey. We confirm that the stellar and interstellar medium (ISM) metallicities are strongly correlated, with scatter $\sim$3 times smaller than that found in previous works, and that integrated stellar populations are generally more metal-poor than the ISM, especially in low-mass galaxies. The ratio between the two metallicities strongly correlates with several integrated galaxy properties including stellar mass, specific star formation rate, and a gravitational potential proxy. However, we show that these trends are primarily a consequence of: (a) the different star formation and metal enrichment histories of the galaxies, and (b) the fact that while stellar metallicities trace primarily iron enrichment, gas-phase metallicity indicators are calibrated to the enrichment of oxygen in the ISM. Indeed, once both metallicities are converted to the same `element base' all of our trends become significantly weaker. Interestingly, the ratio of gas to stellar metallicity is always below the value expected for a simple closed-box model, which requires that outflows and inflows play an important role in the enrichment history across our entire stellar mass range. This work highlights the complex interplay between stellar and gas-phase metallicities and shows how care must be taken in comparing them to constrain models of galaxy formation and evolution., Comment: 15 pages, 13 figures, accepted for publication in MNRAS

Galaxy internal structure growth has long been accused of inhibiting star formation in disc galaxies. We investigate the potential physical connection between the growth of dispersion-supported stellar structures (e.g. classical bulges) and the position of galaxies on the star-forming main sequence at $z\sim0$. Combining the might of the SAMI and MaNGA galaxy surveys, we measure the $\lambda_{Re}$ spin parameter for 3781 galaxies over $9.5 < \log M_{\star} [\rm{M}_{\odot}] < 12$. At all stellar masses, galaxies at the locus of the main sequence possess $\lambda_{Re}$ values indicative of intrinsically flattened discs. However, above $\log M_{\star}[\rm{M}_{\odot}]\sim10.5$ where the main sequence starts bending, we find tantalising evidence for an increase in the number of galaxies with dispersion-supported structures, perhaps suggesting a connection between bulges and the bending of the main sequence. Moving above the main sequence, we see no evidence of any change in the typical spin parameter in galaxies once gravitationally-interacting systems are excluded from the sample. Similarly, up to 1 dex below the main sequence, $\lambda_{Re}$ remains roughly constant and only at very high stellar masses ($\log M_{\star}[\rm{M}_{\odot}]>11$), do we see a rapid decrease in $\lambda_{Re}$ once galaxies decline in star formation activity. If this trend is confirmed, it would be indicative of different quenching mechanisms acting on high- and low-mass galaxies. The results suggest that while a population of galaxies possessing some dispersion-supported structure is already present on the star-forming main sequence, further growth would be required after the galaxy has quenched to match the kinematic properties observed in passive galaxies at $z\sim0$., Comment: 16 pages, 10 figures, accepted for publication in MNRAS

The principle that research output should be open has, in recent years, been in-creasingly applied to data and software. Licensing is a key aspect to openness. Navi-gating the landscape of open source licenses can lead to complex discussions.During ADASS XXIX in 2019 it became clear that several groupsworldwide areworking on formalising the licensing of software and other digital assets. In this article,we summarise a discussion we had at ADASS XXX on the application of licensesto astronomical scientific software, and summarise the questionnaire we distributed inpreparation. We conclude that this topic is considered relevant and interesting by manymembers of our community, and that it should be pursued further., Comment: 4 pages, 3 figures, to appear in the proceedings of Astronomical Data Analysis Software and Systems XXX published by ASP

We report on a theoretical study of adsorption of 4-Acetylbiphenyl molecule and its diffusion properties in the main directions of the Au(111) surface. Structural changes of the molecule, which are induced by adsorption lead to stronger conjugation of the $\pi$-system. The molecule is adsorbed in a flat configuration on the surface with roughly the same binding energy along the [110] and [112] directions, in good agreement with experiments. Furthermore, the diffusion barriers imply an important directionality of the molecule-surface interactions. This is somewhat surprising because our calculations show that the prevailing interaction is the long-range molecule-surface van der Waals interaction. Despite of its weakness, the van der Waals interaction discriminates the preferential adsorption sites as well as imposes a molecular geometry that needs to be considered when rationalizing the diffusion barriers.

Scanning probe microscopy and spectroscopy, and more recently in combination with electron spin resonance, have allowed the direct observation of electron dynamics on the single-atom limit. The interpretation of data is strongly depending on model Hamiltonians. However, fitting effective spin Hamiltonians to experimental data lacks the ability to explore a vast number of potential systems of interest. By using plane-wave density functional theory (DFT) as starting point, we build a multiplet Hamiltonian making use of maximally-localized Wannier functions. The Hamiltonian contains spin-orbit and electron-electron interactions needed to obtain the relevant spin dynamics. The resulting reduced Hamiltonian is solved by exact diagonalization. We compare three prototypical cases of 3d transition metals Mn (total spin $S=5/2$), Fe ($S=2$) and Co ($S=3/2$) on MgO with experimental data and find that our calculations can accurately predict the spin orientation and anisotropy of the magnetic adatom. Our method does not rely on experimental input and permits us to explore and predict the fundamental magnetic properties of adatoms on surfaces., Comment: 13 figures. It includes Supplementary Material

The ability to electrically-drive spin excitations in molecules with magnetic anisotropy is key for high-density storage and quantum-information technology. Electrons, however, also tunnel via the vibrational excitations unique to a molecule. The interplay of spin and vibrational excitations offers novel routes to study and, ultimately, electrically manipulate molecular magnetism. Here we use a scanning tunneling microscope to electrically induce spin and vibrational excitations in a single molecule consisting of a nickelocene magnetically coupled to a Ni atom. We evidence a vibron-assisted spin excitation at an energy one order of magnitude higher compared to the usual spin excitations of nickelocene and explain it using first-principles calculations that include electron correlations. Furthermore, we observe that spin excitations can be quenched by modifying the Ni-nickelocene coupling. Our study suggests that nickelocene-based complexes constitute a model playground for exploring the interaction of spin and vibrations in the electron transport through single magnetic molecules.

The recent development of all-electrical electron spin resonance (ESR) in a scanning tunneling microscope (STM) setup has opened the door to vast applications. Despite the fast growing number of experimental works on STM-ESR, the fundamental principles remains unclear. By using a cotunneling picture, we show that the spin resonance signal can be explained as a time-dependent variation of the tunnel barrier induced by the alternating electric driving field. We demonstrate how this variation translates into the resonant frequency response of the direct current. Our cotunneling theory explains the main experimental findings. Namely, the linear dependence of the Rabi flop rate with the alternating bias amplitude, the absence of resonant response for spin-unpolarized currents, and the weak dependence on the actual atomic species., Comment: 11 pages, 3 figures

Recent advances in scanning probe techniques rely on the chemical functionalization of the probe-tip termination by a single molecule. The success of this approach opens the tantalizing prospect of introducing spin sensitivity through the functionalization by a magnetic molecule. Here, we use a nickelocene-terminated tip (Nc-tip), which offers the possibility of producing spin excitations on the tip apex of a scanning tunneling microscope (STM). We show that when the Nc-tip is a hundred pm away from point contact with a surface-supported object, magnetic effects may be probed through changes in the spin excitation spectrum of nickelocene. We use this detection scheme to simultaneously determine the exchange field and the spin polarization of the sample with atomic-scale resolution. Our findings demonstrate that the Nc-tip is a powerful probe for investigating surface magnetism with STM, from single magnetic atoms to surfaces.

We construct Tully-Fisher relations (TFRs), from large samples of galaxies with spatially-resolved H$\alpha$ emission maps from the K-band Multi-Object Spectrograph (KMOS) Redshift One Spectroscopic Survey (KROSS) at $z\approx1$. We compare these to data from the Sydney-Australian-Astronomical-Observatory Multi-object Integral-Field Spectrograph (SAMI) Galaxy Survey at $z\approx0$. We stringently match the data quality of the latter to the former, and apply identical analysis methods and sub-sample selection criteria to both to conduct a direct comparison of the absolute $K$-band magnitude and stellar mass TFRs at $z\approx1$ and $z\approx0$. We find that matching the quality of the SAMI data to that of KROSS results in TFRs that differ significantly in slope, zero-point and (sometimes) scatter in comparison to the corresponding original SAMI relations. These differences are in every case as large or larger than the differences between the KROSS $z\approx1$ and matched SAMI $z\approx0$ relations. Accounting for these differences, we compare the TFRs at $z\approx1$ and $z\approx0$. For disk-like, star-forming galaxies we find no significant difference in the TFR zero-points between the two epochs. This suggests the growth of stellar mass and dark matter in these types of galaxies is intimately linked over this $\approx8$ Gyr period., Comment: Accepted for publication in MNRAS

We study the balance in dynamical support of 384 galaxies with stellar kinematics out to >1.5R_e in the Sydney AAO Multi-object Integral Field (SAMI) Galaxy Survey. We present radial dynamical profiles of the local rotation dominance parameter, V/sigma, and local spin, lambda_loc. Although there is a broad range in amplitude, most kinematic profiles monotonically increase across the probed radial range. We do not find many galaxies with kinematic transitions such as those expected between the inner in-situ and outer accreted stars within the radial range probed. We compare the V/sigma gradient and maximum values to the visual morphologies of the galaxies to better understand the link between visual and kinematic morphologies. We find that the radial distribution of dynamical support in galaxies is linked to their visual morphology. Late-type systems have higher rotational support at all radii and steeper V/sigma gradients compared to early-type galaxies. We perform a search for embedded discs, which are rotationally supported discy structures embedded within large scale slowly or non-rotating structures. Visual inspection of the kinematics reveals at most three galaxies (out of 384) harbouring embedded discs. This is more than an order of magnitude fewer than the observed fraction in some local studies. Our tests suggest that this tension can be attributed to differences in the sample selection, spatial sampling and beam smearing due to seeing., Comment: 13 pages, 10 figures, MNRAS accepted

In order to determine the causes of kinematic asymmetry in the H$\alpha$ gas in the SAMI Galaxy Survey sample, we investigate the comparative influences of environment and intrinsic properties of galaxies on perturbation. We use spatially resolved H$\alpha$ velocity fields from the SAMI Galaxy Survey to quantify kinematic asymmetry ($\overline{v_{asym}}$) in nearby galaxies and environmental and stellar mass data from the GAMA survey. {We find that local environment, measured as distance to nearest neighbour, is inversely correlated with kinematic asymmetry for galaxies with $\mathrm{\log(M_*/M_\odot)}>10.0$, but there is no significant correlation for galaxies with $\mathrm{\log(M_*/M_\odot)}<10.0$. Moreover, low mass galaxies ($\mathrm{\log(M_*/M_\odot)}<9.0$) have greater kinematic asymmetry at all separations, suggesting a different physical source of asymmetry is important in low mass galaxies.} We propose that secular effects derived from gas fraction and gas mass may be the primary causes of asymmetry in low mass galaxies. High gas fraction is linked to high $\frac{\sigma_{m}}{V}$ (where $\sigma_m$ is H$\alpha$ velocity dispersion and $V$ the rotation velocity), which is strongly correlated with $\overline{v_{asym}}$, and galaxies with $\log(M_*/M_\odot)<9.0$ have offset $\overline{\frac{\sigma_{m}}{V}}$ from the rest of the sample. Further, asymmetry as a fraction of dispersion decreases for galaxies with $\log(M_*/M_\odot)<9.0$. Gas mass and asymmetry are also inversely correlated in our sample. We propose that low gas masses in dwarf galaxies may lead to asymmetric distribution of gas clouds, leading to increased relative turbulence., Comment: 15 pages, 20 figures

We investigate the Tully-Fisher Relation (TFR) for a morphologically and kine- matically diverse sample of galaxies from the SAMI Galaxy Survey using 2 dimensional spatially resolved Halpha velocity maps and find a well defined relation across the stellar mass range of 8.0 < log(M*) < 11.5. We use an adaptation of kinemetry to parametrise the kinematic Halpha asymmetry of all galaxies in the sample, and find a correlation between scatter (i.e. residuals off the TFR) and asymmetry. This effect is pronounced at low stellar mass, corresponding to the inverse relationship between stellar mass and kinematic asymmetry found in previous work. For galaxies with log(M*) < 9.5, 25 +/- 3% are scattered below the root mean square (RMS) of the TFR, whereas for galaxies with log(M*) > 9.5 the fraction is 10 +/- 1% We use 'simulated slits' to directly compare our results with those from long slit spectroscopy and find that aligning slits with the photometric, rather than the kinematic, position angle, increases global scatter below the TFR. Further, kinematic asymmetry is correlated with misalignment between the photometric and kinematic position angles. This work demonstrates the value of 2D spatially resolved kinematics for accurate TFR studies; integral field spectroscopy reduces the underestimation of rotation velocity that can occur from slit positioning off the kinematic axis.

We introduce a method for modeling disk galaxies designed to take full advantage of data from integral field spectroscopy (IFS). The method fits equilibrium models to simultaneously reproduce the surface brightness, rotation and velocity dispersion profiles of a galaxy. The models are fully self-consistent 6D distribution functions for a galaxy with a Sersic-profile stellar bulge, exponential disk and parametric dark matter halo, generated by an updated version of GalactICS. By creating realistic flux-weighted maps of the kinematic moments (flux, mean velocity and dispersion), we simultaneously fit photometric and spectroscopic data using both maximum-likelihood and Bayesian (MCMC) techniques. We apply the method to a GAMA spiral galaxy (G79635) with kinematics from the SAMI Galaxy Survey and deep $g$- and $r$-band photometry from the VST-KiDS survey, comparing parameter constraints with those from traditional 2D bulge-disk decomposition. Our method returns broadly consistent results for shared parameters, while constraining the mass-to-light ratios of stellar components and reproducing the HI-inferred circular velocity well beyond the limits of the SAMI data. While the method is tailored for fitting integral field kinematic data, it can use other dynamical constraints like central fibre dispersions and \HI circular velocities, and is well-suited for modelling galaxies with a combination of deep imaging and HI and/or optical spectra (resolved or otherwise). Our implementation (MagRite) is computationally efficient and can generate well-resolved models and kinematic maps in under a minute on modern processors., Comment: ApJ accepted; 21 pages, 12 figures

This work presents a study of galactic outflows driven by stellar feedback. We extract main sequence disc galaxies with stellar mass $10^9\le$ M$_{\star}/$M$_{\odot} \le 5.7\times10^{10}$ at redshift $z=0$ from the highest resolution cosmological simulation of the Evolution and Assembly of GaLaxies and their Environments (EAGLE) set. Synthetic gas rotation velocity and velocity dispersion ($\sigma$) maps are created and compared to observations of disc galaxies obtained with the Sydney-AAO Multi-object Integral field spectrograph (SAMI), where $\sigma$-values greater than $150$ km s$^{-1}$ are most naturally explained by bipolar outflows powered by starburst activity. We find that the extension of the simulated edge-on (pixelated) velocity dispersion probability distribution depends on stellar mass and star formation rate surface density ($\Sigma_{\rm SFR}$), with low-M$_{\star}/$low-$\Sigma_{\rm SFR}$ galaxies showing a narrow peak at low $\sigma$ ($\sim30$ km s$^{-1}$) and more active, high-M$_{\star}/$high-$\Sigma_{\rm SFR}$ galaxies reaching $\sigma>150$ km s$^{-1}$. Although supernova-driven galactic winds in the EAGLE simulations may not entrain enough gas with T $<10^5$ K compared to observed galaxies, we find that gas temperature is a good proxy for the presence of outflows. There is a direct correlation between the thermal state of the gas and its state of motion as described by the $\sigma$-distribution. The following equivalence relations hold in EAGLE: $i)$ low-$\sigma$ peak $\,\Leftrightarrow\,$ disc of the galaxy $\,\Leftrightarrow\,$ gas with T $<10^5$ K; $ii)$ high-$\sigma$ tail $\,\Leftrightarrow\,$ galactic winds $\,\Leftrightarrow\,$ gas with T $\ge 10^5$ K., Comment: 18 pages, 12 figures, accepted for publication in MNRAS

The electronic transport properties of a point-contact system formed by a single Co atom adsorbed on Cu (100) and contacted by a copper tip is evaluated in the presence of intra-atomic Coulomb interactions and spin-orbit coupling. The calculations are performed using equilibrium Green's functions evaluated within density functional theory completed with a Hubbard $U$ term and spin-orbit interaction, as implemented in the Gollum package. We show that the contribution to the transmission between electrodes of spin-flip components is negative and scaling as $\lambda^2/\Gamma^2$ where $\lambda$ is the SOC and $\Gamma$ the Co atom-electrode coupling. Hence, due to this unfavorable ratio, SOC effects in transport in this system are small. However, we show that the spin-flip transmission component can increase by two orders of magnitude depending on the value of the Hubbard $U$ term. These effects are particularly important in the contact regime because of the prevalence of $d$-electron transport, while in the tunneling regime, transport is controlled by the $sp$-electron transmission and results are less dependent on the values of $U$ and SOC. Using our electronic structure and the elastic transmission calculations, we discuss the effect of $U$ and SOC on the well-known Kondo effect of this system., Comment: 6 figures

A simple double-decker molecule with magnetic anisotropy, nickelocene, is attached to the metallic tip of a low-temperature scanning tunneling microscope. In the presence of a Cu(100) surface, the conductance around the Fermi energy is governed by spin-flip scattering, the nature of which is determined by the tunneling barrier thickness. The molecular tip exhibits inelastic spin-flip scattering in the tunneling regime, while in the contact regime a Kondo ground state is stabilized causing an order of magnitude change in the zero-bias conductance. First principle calculations show that nickelocene reversibly switches from a spin 1 to 1/2 between the two transport regimes., Comment: 5 pages, 5 figures

We describe the selection of galaxies targeted in eight low redshift clusters (APMCC0917, A168, A4038, EDCC442, A3880, A2399, A119 and A85; $0.029 < z < 0.058$) as part of the Sydney-AAO Multi-Object integral field Spectrograph Galaxy Survey (SAMI-GS). We have conducted a redshift survey of these clusters using the AAOmega multi-object spectrograph on the 3.9m Anglo-Australian Telescope. The redshift survey is used to determine cluster membership and to characterise the dynamical properties of the clusters. In combination with existing data, the survey resulted in 21,257 reliable redshift measurements and 2899 confirmed cluster member galaxies. Our redshift catalogue has a high spectroscopic completeness ($\sim 94\%$) for $r_{\rm petro} \leq 19.4$ and clustercentric distances $R< 2\rm{R}_{200}$. We use the confirmed cluster member positions and redshifts to determine cluster velocity dispersion, $\rm{R}_{200}$, virial and caustic masses, as well as cluster structure. The clusters have virial masses $14.25 \leq {\rm log }({\rm M}_{200}/\rm{M}_{\odot}) \leq 15.19$. The cluster sample exhibits a range of dynamical states, from relatively relaxed-appearing systems, to clusters with strong indications of merger-related substructure. Aperture- and PSF-matched photometry are derived from SDSS and VST/ATLAS imaging and used to estimate stellar masses. These estimates, in combination with the redshifts, are used to define the input target catalogue for the cluster portion of the SAMI-GS. The primary SAMI-GS cluster targets have $R< \rm{R}_{200}$, velocities $|v_{\rm pec}| < 3.5\sigma_{200}$ and stellar masses $9.5 \leq {\rm log(M}^*_{approx}/\rm{M}_{\odot}) \leq 12$. Finally, we give an update on the SAMI-GS progress for the cluster regions., Comment: 28 pages, 15 figures, 3 tables, accepted for publication in MNRAS

We studied the spin-flip excitations of a double-decker nickelocene molecule (Nc) adsorbed on Cu(100) by means of inelastic tunneling spectroscopy (IETS), X-ray magnetic circular dichroism (XMCD) and density functional theory calculations (DFT). The results show that the molecule preserves its magnetic moment and magnetic anisotropy not only on Cu(100), but also in different metallic environments including the tip apex. Taking advantage of the efficient spin-flip excitation of this molecule, we show how such a molecular functionalized tip boosts the inelastic signal of a surface supported Nc by almost one order of magnitude thanks to a double spin-excitation process.

We study the properties of kinematically disturbed galaxies in the SAMI Galaxy Survey using a quantitative criterion, based on kinemetry (Krajnovic et al.). The approach, similar to the application of kinemetry by Shapiro et al. uses ionised gas kinematics, probed by H{\alpha} emission. By this method 23+/-7% of our 360-galaxy sub-sample of the SAMI Galaxy Survey are kinematically asymmetric. Visual classifications agree with our kinemetric results for 90% of asymmetric and 95% of normal galaxies. We find stellar mass and kinematic asymmetry are inversely correlated and that kinematic asymmetry is both more frequent and stronger in low-mass galaxies. This builds on previous studies that found high fractions of kinematic asymmetry in low mass galaxies using a variety of different methods. Concentration of star forma- tion and kinematic disturbance are found to be correlated, confirming results found in previous work. This effect is stronger for high mass galaxies (log(M*) > 10) and indicates that kinematic disturbance is linked to centrally concentrated star formation. Comparison of the inner (within 0.5Re) and outer H{\alpha} equivalent widths of asymmetric and normal galaxies shows a small but significant increase in inner equivalent width for asymmetric galaxies., Comment: 29 pages, 21 figures

We use data from the Sydney-AAO Multi-Object Integral Field Spectrograph (SAMI) Galaxy Survey and the Galaxy And Mass Assembly (GAMA) survey to investigate the spatially-resolved signatures of the environmental quenching of star formation in galaxies. Using dust-corrected measurements of the distribution of H$\alpha$ emission we measure the radial profiles of star formation in a sample of 201 star-forming galaxies covering three orders of magnitude in stellar mass (M$_{*}$; $10^{8.1}$-$10^{10.95}\, $M$_{\odot}$) and in $5^{th}$ nearest neighbour local environment density ($\Sigma_{5}$; $10^{-1.3}$-$10^{2.1}\,$Mpc$^{-2}$). We show that star formation rate gradients in galaxies are steeper in dense ($\log_{10}(\Sigma_{5}/$Mpc$^{2})>0.5$) environments by $0.58\pm 0.29\, dex\, $r$_{e}^{-1}$ in galaxies with stellar masses in the range $10^{10}<$M$_{*}/$M$_{\odot}<10^{11}$ and that this steepening is accompanied by a reduction in the integrated star formation rate. However, for any given stellar mass or environment density the star-formation morphology of galaxies shows large scatter. We also measure the degree to which the star formation is centrally concentrated using the unitless scale-radius ratio ($r_{50,H\alpha}/r_{50,cont}$), which compares the extent of ongoing star formation to previous star formation. With this metric we find that the fraction of galaxies with centrally concentrated star formation increases with environment density, from $\sim 5\pm 4\%$ in low-density environments ($\log_{10}(\Sigma_{5}/$Mpc$^{2})<0.0$) to $30\pm 15\%$ in the highest density environments ($\log_{10}(\Sigma_{5}/$Mpc$^{2})>1.0$). These lines of evidence strongly suggest that with increasing local environment density the star formation in galaxies is suppressed, and that this starts in their outskirts such that quenching occurs in an outside-in fashion in dense environments and is not instantaneous., Comment: 24 pages, 16 figures, accepted for publication in MNRAS

We investigate the relationship between stellar and gas specific angular momentum $j$, stellar mass $M_{*}$ and optical morphology for a sample of 488 galaxies extracted from the SAMI Galaxy Survey. We find that $j$, measured within one effective radius, monotonically increases with $M_{*}$ and that, for $M_{*}>$10$^{9.5}$ M$_{\odot}$, the scatter in this relation strongly correlates with optical morphology (i.e., visual classification and S\'ersic index). These findings confirm that massive galaxies of all types lie on a plane relating mass, angular momentum and stellar light distribution, and suggest that the large-scale morphology of a galaxy is regulated by its mass and dynamical state. We show that the significant scatter in the $M_{*}-j$ relation is accounted for by the fact that, at fixed stellar mass, the contribution of ordered motions to the dynamical support of galaxies varies by at least a factor of three. Indeed, the stellar spin parameter (quantified via $\lambda_R$) correlates strongly with S\'ersic and concentration indices. This correlation is particularly strong once slow-rotators are removed from the sample, showing that late-type galaxies and early-type fast rotators form a continuous class of objects in terms of their kinematic properties., Comment: 16 pages, 8 figures, 1 table. Accepted for publication in MNRAS

We report on a theoretical study of the lifetime of the first excited state of spin chains made of an odd number of Fe atoms on Cu2N/Cu(100). Yan et al (Nat. Nanotech. 10, 40 (2015)) recently observed very long lifetimes in the case of Fe3 chains. We consider the decay of the first excited state induced by electron-hole pair creation in the substrate. For a finite magnetic field, the two lowest-lying states in the chain have a quasi-N\'eel state structure. Decay from one state to the other strongly depends on the degree of entanglement of the local spins in the chain. The entanglement in the chain accounts for the long lifetimes that increase exponentially with chain length. Despite their apparently very different properties, the behaviour of odd and even chains is governed by the same kind of phenomena, in particular entanglement effects. The present results account quite well for the lifetimes recently measured by Yan et al on Fe3, Comment: 21 pages

Line-of-sight velocities of gas and stars can constrain dark matter (DM) within rotationally supported galaxies if they trace circular orbits extensively. Photometric asymmetries may signify non-circular motions, requiring spectra with dense spatial coverage. Our integral-field spectroscopy of 178 galaxies spanned the mass range of the SAMI Galaxy Survey. We derived circular speed curves (CSCs) of gas and stars from non-parametric Diskfit fits out to $r\sim2r_e$. For 12/14 with measured H I profiles, ionized gas and H I maximum velocities agreed. We fitted mass-follows-light models to 163 galaxies by approximating the radial starlight profile as nested, very flattened mass homeoids viewed as a S\'ersic form. Fitting broad-band SEDs to SDSS images gave median stellar mass/light 1.7 assuming a Kroupa IMF vs. 2.6 dynamically. Two-thirds of the dynamical mass/light measures were consistent with star+remnant IMFs. One-fifth required upscaled starlight to fit, hence comparable mass of unobserved baryons and/or DM distributed similarly across the SAMI aperture that came to dominate motions as the starlight CSC declined rapidly. The rest had mass distributed differently from starlight. Subtracting fits of S\'ersic profiles to 13 VIKING Z-band images revealed residual weak bars. Near the bar PA, we assessed m = 2 streaming velocities, and found deviations usually <30 km/s from the CSC; three showed no deviation. Thus, asymmetries rarely influenced our CSCs despite co-located shock-indicating, emission-line flux ratios in more than 2/3., Comment: 21 pages, 15 figures. Accepted to MNRAS

We present the SAMI Pilot Survey, consisting of integral field spectroscopy of 106 galaxies across three galaxy clusters, Abell 85, Abell 168 and Abell 2399. The galaxies were selected by absolute magnitude to have $M_r<-20.25$ mag. The survey, using the Sydney-AAO Multi-object Integral field spectrograph (SAMI), comprises observations of galaxies of all morphological types with 75\% of the sample being early-type galaxies (ETGs) and 25\% being late-type galaxies (LTGs). Stellar velocity and velocity dispersion maps are derived for all 106 galaxies in the sample. The $\lambda_{R}$ parameter, a proxy for the specific stellar angular momentum, is calculated for each galaxy in the sample. We find a trend between $\lambda_{R}$ and galaxy concentration such that LTGs are less concentrated higher angular momentum systems, with the fast-rotating ETGs (FRs) more concentrated and lower in angular momentum. This suggests that some dynamical processes are involved in transforming LTGs to FRs, though a significant overlap between the $\lambda_{R}$ distributions of these classes of galaxies implies that this is just one piece of a more complicated picture. We measure the kinematic misalignment angle, $\Psi$, for the ETGs in the sample, to probe the intrinsic shapes of the galaxies. We find the majority of FRs (83\%) to be aligned, consistent with them being oblate spheroids (i.e. disks). The slow rotating ETGs (SRs), on the other hand, are significantly more likely to show kinematic misalignment (only 38\% are aligned). This confirms previous results that SRs are likely to be mildly triaxial systems., Comment: 19 pages, 15 figures

Metallorganic molecules have been proposed as excellent spin filters in molecular spintronics because of the large spin-polarization of their electronic structure. However, most of the studies involving spin transport, have disregarded fundamental aspects such as the magnetic anisotropy of the molecule and the excitation of spin-flip processes during electron transport. Here, we study a molecule containing a Co and an Fe atoms stacked between three cyclopentadienyl rings that presents a large magnetic anisotropy and a S=1. These figures are superior to other molecules with the same transition metal, and improves the spin-filtering capacities of the molecule. Non-equilibrium Green's functions calculations based on density functional theory predict excellent spin-filtering properties both in tunnel and contact transport regimes. However, exciting the first magnetic state drastically reduces the current's spin polarization. Furthermore, a difference of temperature between electrodes leads to strong thermoelectric effects that also suppress spin polarization. Our study shows that in-principle good molecular candidates for spintronics need to be confronted with inelastic and thermoelectric effects.

The SAMI Galaxy Survey will observe 3400 galaxies with the Sydney-AAO Multi-object Integral-field spectrograph (SAMI) on the Anglo-Australian Telescope (AAT) in a 3-year survey which began in 2013. We present the throughput of the SAMI system, the science basis and specifications for the target selection, the survey observation plan and the combined properties of the selected galaxies. The survey includes four volume limited galaxy samples based on cuts in a proxy for stellar mass, along with low-stellar mass dwarf galaxies all selected from the Galaxy And Mass Assembly (GAMA) survey. The GAMA regions were selected because of the vast array of ancillary data available, including ultraviolet through to radio bands. These fields are on the celestial equator at 9, 12, and 14.5 hours, and cover a total of 144 square degrees (in GAMA-I). Higher density environments are also included with the addition of eight clusters. The clusters have spectroscopy from 2dFGRS and SDSS and photometry in regions covered by the Sloan Digital Sky Survey (SDSS) and/or VLT Survey Telescope/ATLAS. The aim is to cover a broad range in stellar mass and environment, and therefore the primary survey targets cover redshifts 0.004 < z < 0.095, magnitudes r$_{pet}$ < 19.4, stellar masses $10^{7} - 10^{12}$ M$_{sol}$, and environments from isolated field galaxies through groups to clusters of $10^{15}$ M$_{sol}$., Comment: 19 figures; Published in MNRAS 447, 2857, 2015

We present the Early Data Release of the Sydney-AAO Multi-object Integral field spectrograph (SAMI) Galaxy Survey. The SAMI Galaxy Survey is an ongoing integral field spectroscopic survey of ~3400 low-redshift (z<0.12) galaxies, covering galaxies in the field and in groups within the Galaxy And Mass Assembly (GAMA) survey regions, and a sample of galaxies in clusters. In the Early Data Release, we publicly release the fully calibrated datacubes for a representative selection of 107 galaxies drawn from the GAMA regions, along with information about these galaxies from the GAMA catalogues. All datacubes for the Early Data Release galaxies can be downloaded individually or as a set from the SAMI Galaxy Survey website. In this paper we also assess the quality of the pipeline used to reduce the SAMI data, giving metrics that quantify its performance at all stages in processing the raw data into calibrated datacubes. The pipeline gives excellent results throughout, with typical sky subtraction residuals in the continuum of 0.9-1.2 per cent, a relative flux calibration uncertainty of 4.1 per cent (systematic) plus 4.3 per cent (statistical), and atmospheric dispersion removed with an accuracy of 0."09, less than a fifth of a spaxel., Comment: MNRAS accepted. 16 pages, 20 figures. Galaxy datacubes and related data available from http://sami-survey.org/edr . v2: Minor edits to match accepted version

We present a methodology for the regularisation and combination of sparse sampled and irregularly gridded observations from fibre-optic multi-object integral-field spectroscopy. The approach minimises interpolation and retains image resolution on combining sub-pixel dithered data. We discuss the methodology in the context of the Sydney-AAO Multi-object Integral-field spectrograph (SAMI) Galaxy Survey underway at the Anglo-Australian Telescope. The SAMI instrument uses 13 fibre bundles to perform high-multiplex integral-field spectroscopy across a one degree diameter field of view. The SAMI Galaxy Survey is targeting 3000 galaxies drawn from the full range of galaxy environments. We demonstrate the subcritical sampling of the seeing and incomplete fill factor for the integral-field bundles results in only a 10% degradation in the final image resolution recovered. We also implement a new methodology for tracking covariance between elements of the resulting datacubes which retains 90% of the covariance information while incurring only a modest increase in the survey data volume., Comment: 17 pages, 10 figures, Accepted MNRAS September 2014

The rates of a hindered molecular rotation induced by tunneling electrons are evaluated using scattering theory within the sudden approximation. Our approach explains the excitation of copper phthalocyanine molecules (CuPc) on Cu(111) as revealed in a recent measurement of telegraph noise in a scanning tunneling microscopy (STM) experiment [Schaffert \textit{et al.}, Nat. Mat. {\bf 12}, 223 (2013)]. A complete explanation of the experimental data is performed by computing the geometry of the adsorbed system, its electronic structure and the energy transfer between tunneling electrons and the molecule's rotational degree of freedom. The results unambiguously show that tunneling electrons induce a frustrated rotation of the molecule. In addition, the theory determines the spatial distribution of the frustrated rotation excitation, confirming the striking dominance of two out of four molecular lobes in the observed excitation process. This lobe selectivity is attributed to the different hybridizations with the underlying substrate., Comment: 10 pages, 6 figures

We present a systematic investigation of molecule-metal interactions for transition-metal phthalocyanines (TMPc, with TM = Fe, Co, Ni, Cu) adsorbed on Ag(100). Scanning tunneling spectroscopy and density functional theory provide insight into the charge transfer and hybridization mechanisms of TMPc as a function of increasing occupancy of the 3d metal states. We show that all four TMPc receive approximately one electron from the substrate. Charge transfer occurs from the substrate to the molecules, inducing a charge reorganization in FePc and CoPc, while adding one electron to ligand \pi-orbitals in NiPc and CuPc. This has opposite consequences on the molecular magnetic moment: in FePc and CoPc the interaction with the substrate tends to reduce the TM spin, whereas in NiPc and CuPc an additional spin is induced on the aromatic Pc ligand, leaving the TM spin unperturbed. In CuPc, the presence of both TM and ligand spins leads to a triplet ground state arising from intramolecular exchange coupling between d and \pi electrons. In FePc and CoPc the magnetic moment of C and N atoms is antiparallel to that of the TM. The different character and symmetry of the frontier orbitals in the TMPc series leads to varying degrees of hybridization and correlation effects, ranging from the mixed-valence (FePc, CoPc) to the Kondo regime (NiPc, CuPc). Coherent coupling between Kondo and inelastic excitations induces finite-bias Kondo resonances involving vibrational transitions in both NiPc and CuPc and triplet-singlet transitions in CuPc., Comment: 14 pages, 11 figures

Excitation of finite chains of magnetic atoms adsorbed on a surface by tunnelling electrons from an STM (Scanning Tunnelling Microscope) tip is studied using a Heisenberg Hamiltonian description of the magnetic couplings along the chain and a strong coupling approach of inelastic tunnelling. The excitation probability of the magnetic levels is very high and the excitation spectra in chains of different lengths are very similar. The excitations in finite chains can be considered as spin waves quantized in the finite object. The energy and momentum spectra of the spin waves excited in the idealized infinite chain by tunnelling electrons are determined from the results on the finite chains. Both ferro- and antiferromagnetic couplings are considered, leading to very different results. In particular, in the anti-ferromagnetic case, excitations linked to the entanglement of the chain ground state are evidenced.

Density functional theory (DFT) simulations corrected by the intramolecular Coulomb repulsion U, are performed to evaluate the vibrational inelastic electron tunneling spectroscopy (IETS) of O_2 molecules on Ag(110). Semilocal DFT calculations predict a spinless adsorbed molecule, however the inclusion of the U leads to the polarization of the molecule by shifting a spin-polarized molecular orbital towards the Fermi level. A molecular resonance at the Fermi level can imply a decrease in conductance while in the off-resonance case, an increase in conductance is the expected IETS signal. We use the lowest-order expansion on the electron-vibration coupling, in order to evaluate the magnitude and spatial distribution of the inelastic signal. This allows us to reproduce the experimental data in: (i) the negative conductance variation observed in the vibrational spectra of O_2 along the [001] direction, (ii) the spatial distribution of the conductance changes recorded over the O_2 molecule for the O--O stretch and the antisymmetric O_2--Ag stretch vibrations, (iii) the absence of signal for the center-of-mass and hindered rotations modes, and (iv) the lack of IETS signal for the molecule chemisorbed along the [1-10] direction. Moreover, our results give us insight of the electronic and vibrational symmetries at play. The vibrational frequencies need to go beyond the harmonic approximation in order to be compared with the experimental ones, hence we present a Morse-potential fitting of the potential energy surface in order to evaluate accurate vibrational frequencies. The final IET spectra are evaluated with the help of the self-consistent Born Approximation and the effect of temperature and modulation-voltage broadening are explored. This ensemble of results reveals that the IETS of O_2 cannot be ascribed to the effect of a single orbital molecular resonance., Comment: 26 pages, 2 tables, 8 figures

We present an overview of the EAGLE science case, which spans spatially-resolved spectroscopy of targets from five key science areas - ranging from studies of heavily-obscured Galactic star clusters, right out to the first galaxies at the highest redshifts. Here we summarise the requirements adopted for study and also evaluate the availability of natural guide stars in example fields, which will impact on the adaptive optics performance and architecture., Comment: 12 pages, to be published in Proc SPIE 7014: Ground-based & Airborne Instrumentation for Astronomy II

Scanning tunneling spectra on single C60 molecules that are sufficiently decoupled from the substrate exhibit a characteristic fine structure, which is explained as due to the dynamic Jahn-Teller effect. Using electron-phonon couplings extracted from density functional theory we calculate the tunneling spectrum through the C60- anionic state and find excellent agreement with measured data., Comment: 4 pages, 3 figures, 1 table

A time-dependent approach is used to explore inelastic effects during electron transport through few-level systems. We study a tight-binding chain with one and two sites connected to vibrations. This simple but transparent model gives insight about inelastic effects, their meaning and the approximations currently used to treat them. Our time-dependent approach allows us to trace back the time sequence of vibrational excitation and electronic interference, the ibrationally introduced time delay and the electronic phase shift. We explore a full range of parameters going from weak to strong electron-vibration coupling, from tunneling to contact, from one-vibration description to the need of including all vibrations for a correct description of inelastic effects in transport. We explore the validity of single-site resonant models as well as its extension to more sites via molecular orbitals and the conditions under which multi-orbital, multi-vibrational descriptions cannot be simplified. We explain the physical meaning of the spectral features in the second derivative of the electron current with respect to the bias voltage. This permits us to nuance the meaning of the energy value of dips and peaks. Finally, we show that finite-band effects lead to electron back-scattering off the molecular vibrations in the regime of high-conductance, although the drop in conductance at the vibrational threshold is rather due to the rapid variation of the vibronic density of states., Comment: 38 pages, 14 figures

An electronic band with quasi-one dimensional dispersion is found at the interface between a monolayer of a charge-transfer complex (TTF-TCNQ) and a Au(111) surface. Combined local spectroscopy and numerical calculations show that the band results from a complex mixing of metal and molecular states. The molecular layer folds the underlying metal states and mixes with them selectively, through the TTF component, giving rise to anisotropic hybrid bands. Our results suggest that, by tuning the components of such molecular layers, the dimensionality and dispersion of organic-metal interface states can be engineered.

The low-coverage adsorption of a molecular electron donor, tetrathiafulvalene, on Au(111) is characterized by the spontaneous formation of superlattice of monomers, whose spacing exceeds the equilibrium distance of non-covalent interactions and depends on coverage. The origin of this peculiar growth mode is due to a long-range repulsive interaction between molecules. The analysis of molecular-pair distributions obtained by scanning tunneling microscopy measurements permits us to determine that the nature of TTF intermolecular interactions on Au (111) is electrostatic. A repulsion between molecules is caused by the accumulation of charge due to electron donation into the metal surface, as pictured through density functional theory calculations.

The geometrical and electronic structure properties of $<100>$ and $<110>$ silicon nanowires in the absence of surface passivation are studied by means of density-functional calculations. As we have shown in a recent publication [R. Rurali and N. Lorente, Phys. Rev. Lett. {\bf 94}, 026805 (2005)] the reconstruction of facets can give rise to surface metallic states. In this work, we analyze the dependence of geometric and electronic structure features on the size of the wire and on the growth direction.

Using low-temperature scanning tunneling microscopy we find that perylenetetracarboxylic-dianhydride on Au(788) exhibits three coexisting adsorption phases. Single-molecule tunneling spectroscopy reveals orbital energies, which differ in the different adsorption phases. Density functional theory calculations associate the experimentally observed submolecular corrugation to the spatial distribution of the second-to-lowest unoccupied molecular orbital. We tentatively attribute the orbital shifts to a varying number of hydrogen bonds., Comment: 4 pages, 4 figures

We study by means of density-functional calculations the role of lateral surface reconstructions in determining the electrical properties of <100> silicon nanowires. The different lateral reconstructions are explored by relaxing all the nanowires with crystalline bulk silicon structure and all possible ideal facets that correspond to an average diameter of 1.5 nm. We show that the reconstruction induces the formation of ubiquitous surface states that turn the wires into semi-metallic or metallic.

Silicon nanowires grown along the <100>-direction with a bulk Si core are studied with density functional calculations. Two surface reconstructions prevail after exploration of a large fraction of the phase space of nanowire reconstructions. Despite their energetical equivalence, one of the reconstructions is found to be strongly metallic while the other one is semi-metallic. This electronic-structure behavior is dictated by the particular surface states of each reconstruction. These results imply that doping is not required in order to obtain good conducting Si nanowires., Comment: 13 pages, 4 figures; Phys. Rev. Lett., in press