Atomic resolution noncontact atomic force and scanning tunneling microscopy of TiO2(110)-(1 x 1) and - (1 x 2): simultaneous imaging of surface structures and electronic states

We present simultaneous imaging of TiO2(110)-(1 x 1) and - (1 x 2) using noncontact atomic force microscopy (NC-AFM) and scanning tunneling microscopy (STM). The surface topography was imaged under NC-AFM feedback, while the surface electronic states were imaged by STM. The image contrasts of NC-AFM and STM were antiphase in (1 x 1) and in phase in (1 x 2). The uppermost oxygen and Ti atoms underneath were, respectively, imaged by NC-AFM and STM. The NC-AFM image contrast was close to the true surface topography in (1 x 2), but reduced in (1 x 1).     

STM images apparently corresponding to a stable structure: considerable fluctuation of a phase boundary of the Si(111)-(square root of (3) x square root of (3))-Ag surface

We study scanning tunneling microscopy (STM) images near a phase boundary of the Si(111)- (square root of (3) x square root of (3))-Ag surface by using Monte Carlo simulations based on results of first-principles calculations. The boundary is found to fluctuate from snapshot to snapshot, and the feature of the simulated STM images differs distinctly from the observed one with a straightly extending honeycomb pattern of bright spots. Remarkably, statistical averages of the simulated images reproduce the observed feature. This study gives a warning of our tendency to relate STM images revealing clear arrangement of bright spots with some stable structure.     

Insulating ground state of Sn/Si(111)-(square root 3 x square root 3)R30 degrees

The Sn/Si(111)-(square root 3 x square root 3)R30 degrees surface was so far believed to be metallic according to the electron counting argument. We show, by using tunneling spectroscopy, scanning tunneling microscopy, photoemission, and photoelectron diffraction, that below 70 K this surface has a very low density of states at the Fermi level and is not appreciably distorted. The experimental results are compatible with the insulating Mott-Hubbard ground state predicted by LSDA+U calculations [G. Profeta and E. Tosatti, Phys. Rev. Lett. 98, 086401 (2007)].     

Saturation of azimuthal anisotropy in Au + Au collisions at (square root)s(NN) = 62-200 GeV

New measurements are presented for charged hadron azimuthal correlations at midrapidity in Au+Au collisions at (square root)s(NN) = 62.4 and 200 GeV. They are compared to earlier measurements obtained at (square root)s(NN) = 130 GeV and in Pb + Pb collisions at (square root)s(NN) = 17.2 GeV. Sizeable anisotropies are observed with centrality and transverse momentum (pT) dependence characteristic of elliptic flow (upsilon2). For a broad range of centralities, the observed magnitudes and trends of the differential anisotropy, upsilon2(pT), change very little over the collision energy range (square root)s(NN) = 62-200 GeV, indicating saturation of the excitation function for upsilon2 at these energies. Such a saturation may be indicative of the dominance of a very soft equation of state for (square root)s(NN) approximately 60-200 GeV.     

Intrinsic character of the (3 x 3) to (square root 3 x square root 3) phase transition in Pb/Si(111)

We have investigated the (3 x 3) to (square root 3 x square root 3) reversible phase transition in Pb/Si(111) by means of variable temperature scanning tunneling microscopy and density functional first-principles calculations. By tracking exactly the same regions of the surface with atomic resolution in a temperature range between 40 and 200 K, we have observed the phase transition in real time. The ability to prepare and track exceptionally large domains without defects has allowed us to detect the intrinsic character of the phase transition at temperatures around 86 K. This intrinsic character is in full agreement with our first-principles calculations. Moreover, our results show that the hypothesis that point defects play a fundamental role as the driving force, reported for similar systems, can be discarded for Pb/Si(111).     

NEXAFS study of 1-butanethiol adsorbed on Cu(111) and square root of 7 x square root of 7 R19.1 degrees S/Cu(111)

The adsorption of 1-butanethiol on Cu(111) and square root of 7 x square root of 7 R19.1 degrees S/Cu(111) surfaces has been studied by S K-edge near edge X-ray absorption fine structure (NEXAFS) spectroscopy and thermal desorption spectroscopy. Upon adsorption on clean Cu(111) surface at room temperature, butanethiolate as well as atomic sulfur is formed. For the butanethiolate, the S-C bond is found predominately perpendicular to the surface as revealed by polarization analysis. In contrast, on square root of 7 x square root of 7 R19.1 degrees S/Cu(111) surface, the S-H and S-C bonds of the butanethiol stay intact, resulting in a weakly chemisorbed butanethiol.     

Indium square root 7 x square root 3 on Si(111): a nearly free electron metal in two dimensions

We present measurements of the Fermi surface and underlying band structure of a single layer of indium on Si(111) with square root 7 x square root 3 periodicity. Electrons from both indium valence electrons and silicon dangling bonds contribute to a nearly free, two-dimensional metal on a pseudo-4-fold lattice, which is almost completely decoupled at the Fermi level from the underlying hexagonal silicon lattice. The mean free path inferred from our data is quite long, suggesting the system might be a suitable model for studying the ground state of two-dimensional metals.     

Manipulation of individual water molecules on CeO2(111)

Water molecules adsorbed on the CeO(2)(111) surface are investigated by non-contact atomic force microscopy (NC-AFM) at several tip-sample temperatures ranging between 10 and 300 K. Depending on the strength of the tip-surface interaction, they appear as triangular protrusions extended over three surface oxygen atoms or as small pits at hollow sites. During NC-AFM imaging with the tip being close to the surface, occasionally the transfer of molecules between tip and surface or the tip-induced lateral displacement of water molecules to equivalent surface lattice sites is observed. We report how this situation can be exploited to produce controlled lateral manipulations. A protocol to manipulate the water molecules between pre-defined neighbouring equivalent adsorption sites of the regular lattice as well as across a surface oxygen vacancy is demonstrated.     

Bias voltage dependent shift of the atomic-scale structure of a Ge(111)-(2 × 1) reconstructed surface measured by low temperature scanning tunneling microscopy

The results of low temperature scanning tunneling microscopy (STM) investigations of a clean Ge(111) surface are presented. Bias dependent shifts of the atomic-scale structure caused by the (2 × 1) reconstruction of the Ge(111) surface are observed. A detailed comparison of experimental data with theoretical predictions based on the π-bonded chain model indicates that inelastic tip-sample interaction plays a significant role in STM imaging of the Ge(111)-(2 × 1) reconstructed surface. The text was submitted by the authors in English.     

Nondestructive room-temperature adsorption of 2,4,6-tri(2'-thienyl)-1,3,5-triazine on a Si-B interface: high-resolution STM imaging and molecular modeling

Organic nanostructures on semiconductors are currently investigated but the surfaces are known to interact strongly with molecules. To reduce the molecule-surface interaction, we used the Si(111)-B square root 3 x square root 3R30 degrees . Deposition of isolated 2,4,6-tri(2'-thienyl)-1,3,5-triazine, was achieved at room temperature without modification of their pi skeleton. This fascinating arrangement, observed by STM, has been validated by full density functional theory computations onto the entire system. The theoretical results give a clear explanation for the specific adsorption sites of molecules on the substrate.     

Centrality dependence of charged particle multiplicity in Au-Au collisions at square root of (s)NN = 130 GeV

We present results for the charged-particle multiplicity distribution at midrapidity in Au-Au collisions at square root of [s(NN)] = 130 GeV measured with the PHENIX detector at RHIC. For the 5% most central collisions we find dN(ch)/d eta(vertical line eta = 0) = 622+/-1(stat)+/-41(syst). The results, analyzed as a function of centrality, show a steady rise of the particle density per participating nucleon with centrality.     

Simulation of NC-AFM images of xenon(111)

Experimental results recently obtained for Xe(111) are simulated introducing a method which allows the time-effective simulation of complete non-contact atomic force microscopy (NC-AFM) images for non-reactive surfaces. All features of the experimental image are successfully reproduced. Additionally, the comparison between experiment and simulation allows the maxima in the experimental image to be identified as the actual positions of the xenon atoms.     

S-wave baryons in an equally mixed scalar-vector square root potential model of independent quarks

A relativistic model of independent quarks based on Dirac equation with an equally mixed scalar-vector square root confining potential is used to compute the quark core contributions to the static properties like magnetic moments, charge radii and axial vector coupling constant ratios of the baryon octet. The results obtained with appropriate corrections due to centre-of-mass motion agree fairly well with experimental values. The model is also extended to the study of magnetic moments of the quark core of baryons in the charmed andb-flavoured sectors and the overall predictions so obtained compare well with other model predictions.     

Measurement of d sigma/dM and forward-backward charge asymmetry for high-mass Drell-Yan e(+)e(-) pairs from pp macro collisions at square root of s = 1.8 TeV

We report on a measurement of the mass dependence of the forward-backward charge asymmetry, A(FB), and production cross section d sigma/dM for e(+)e(-) pairs with mass M(ee)>40 GeV/c(2). The data sample consists of 108 pb(-1) of pp macro collisions at square root of s = 1.8 TeV taken by the Collider Detector at Fermilab during 1992-1995. The measured asymmetry and d sigma/dM are compared with the predictions of the standard model and a model with an extra Z' gauge boson.     

Oxygen adsorption on Pt(110)-(1×2): new high-coverage structures

From an interplay between scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations, a comprehensive picture is obtained for oxygen adsorption on the Pt(110)-(1×2) surface, from single isolated oxygen atoms chemisorbed in FCC sites along the platinum ridges to the formation of a new high-coverage oxide-like structure with a local coverage of two oxygen atoms per platinum surface atom. We find that the repulsive O–O interactions for the O/Pt(110) system are compensated by an effective O–O attractive interaction originating from a strong coupling between oxygen adsorption and platinum lattice distortions.     

Model calculations of STM imaging and manipulation of oxygen on Pt(111)

We study tip-adsorbate–substrate interactions in scanning tunneling microscopy (STM) manipulation and imaging, and the influence of impurities on the images. Thence, we perform molecular dynamics simulations and calculate qualitative STM images for oxygen on Pt(1 1 1) surface. The adsorption site of the oxygen molecule is found to be in accordance with ab initio calculations. The calculated STM image has a good resemblance to the experimental ones. The contamination of the tip by oxygen or water alters the STM image strongly. Molecular dynamics simulations on manipulations of oxygen on the surface reveal several mechanisms of how molecular oxygen can be either produced or decomposed with STM tip. Finally, we find out that transfer of oxygen from the surface to an STM tip is not very probable.     

Diverging thermal expansion of the spin-ladder system (C5H12N)2CuBr4

We present high-resolution measurements of the c(*)-axis thermal expansion and magnetostriction of piperidinium copper bromide (C5H12N)2CuBr4. The experimental data at low temperatures are well accounted for by a two-leg spin-ladder Hamiltonian. The thermal expansion shows a complex behavior with various sign changes and approaches a 1/square root T divergence at the critical fields. All low-temperature features are semiquantitatively explained within a free-fermion model; full quantitative agreement is obtained with quantum Monte Carlo simulations.     

Study of scanning tunneling microscopy images and probable relaxations of the SrTiO3(100) surface by electronic structure calculations

Partial electron density plots were calculated for a model SrTiO₃(100) surface with √5 × √5 ordered oxygen vacancy to examine why the bright spots of the scanning tunneling microscopy (STM) images of SrTiO₃(100) observed in ultrahigh vacuum (UHV) correspond to the oxygen vacancy sites. Possible dependence of the image on the polarity and magnitude of the bias voltage was also discussed on the basis of partial electron density plot calculations. Our study strongly suggests that the UHV STM imaging involves the lowest-lying d-block level of every two Ti³⁺ centers adjacent to an oxygen vacancy, the tip-sample distance involved in the UHV STM experiments is substantially larger than that involved in typical ambient-condition STM imaging, and the Ti⁴⁺ and Ti³⁺ sites of SrTiO₃(100) are reconstructed.     

Charged meson rapidity distributions in central Au+Au collisions at square root(sNN) = 200 GeV

We have measured rapidity densities dN/dy of pi+/- and K+/- over a broad rapidity range (-0.1 < y < 3.5) for central Au + Au collisions at square root(sNN) = 200 GeV. These data have significant implications for the chemistry and dynamics of the dense system that is initially created in the collisions. The full phase-space yields are 1660 +/- 15 +/- 133 (pi+), 1683 +/- 16 +/- 135 (pi-), 286 +/- 5 +/- 23 (K+), and 242 +/- 4 +/- 19 (K-). The systematics of the strange to nonstrange meson ratios are found to track the variation of the baryochemical potential with rapidity and energy. Landau-Carruthers hydrodynamics is found to describe the bulk transport of the pions in the longitudinal direction.