Stretching dependence of the vibration modes of a single-molecule Pt-H2-Pt bridge

A conducting bridge of a single hydrogen molecule between Pt electrodes is formed in a break junction experiment. It has a conductance near the quantum unit, G_0 = 2e^2/h, carried by a single channel. Using point contact spectroscopy three vibration modes are observed and their variation upon stretching and isotope substitution is obtained. The interpretation of the experiment in terms of a Pt-H_2-Pt bridge is verified by Density Functional Theory calculations for the stability, vibrational modes, and conductance of the structure.Comment: 5 pages, 4 figure

Interacting classical dimers on the square lattice

We study a model of close-packed dimers on the square lattice with a nearest neighbor interaction between parallel dimers. This model corresponds to the classical limit of quantum dimer models [D.S. Rokhsar and S.A. Kivelson, Phys. Rev. Lett.{\bf 61}, 2376 (1988)]. By means of Monte Carlo and Transfer Matrix calculations, we show that this system undergoes a Kosterlitz-Thouless transition separating a low temperature ordered phase where dimers are aligned in columns from a high temperature critical phase with continuously varying exponents. This is understood by constructing the corresponding Coulomb gas, whose coupling constant is computed numerically. We also discuss doped models and implications on the finite-temperature phase diagram of quantum dimer models.Comment: 4 pages, 4 figures; v2 : Added results on doped models; published versio

Dislocation Kinks in Copper: Widths, Barriers, Effective Masses, and Quantum Tunneling

We calculate the widths, migration barriers, effective masses, and quantum tunneling rates of kinks and jogs in extended screw dislocations in copper, using an effective medium theory interatomic potential. The energy barriers and effective masses for moving a unit jog one lattice constant are close to typical atomic energies and masses: tunneling will be rare. The energy barriers and effective masses for the motion of kinks are unexpectedly small due to the spreading of the kinks over a large number of atoms. The effective masses of the kinks are so small that quantum fluctuations will be important. We discuss implications for quantum creep, kink--based tunneling centers, and Kondo resonances

Simulations of energetic beam deposition: from picoseconds to seconds

We present a new method for simulating crystal growth by energetic beam deposition. The method combines a Kinetic Monte-Carlo simulation for the thermal surface diffusion with a small scale molecular dynamics simulation of every single deposition event. We have implemented the method using the effective medium theory as a model potential for the atomic interactions, and present simulations for Ag/Ag(111) and Pt/Pt(111) for incoming energies up to 35 eV. The method is capable of following the growth of several monolayers at realistic growth rates of 1 monolayer per second, correctly accounting for both energy-induced atomic mobility and thermal surface diffusion. We find that the energy influences island and step densities and can induce layer-by-layer growth. We find an optimal energy for layer-by-layer growth (25 eV for Ag), which correlates with where the net impact-induced downward interlayer transport is at a maximum. A high step density is needed for energy induced layer-by-layer growth, hence the effect dies away at increased temperatures, where thermal surface diffusion reduces the step density. As part of the development of the method, we present molecular dynamics simulations of single atom-surface collisions on flat parts of the surface and near straight steps, we identify microscopic mechanisms by which the energy influences the growth, and we discuss the nature of the energy-induced atomic mobility

Mechanical properties and formation mechanisms of a wire of single gold atoms

A scanning tunneling microscope (STM) supplemented with a force sensor is used to study the mechanical properties of a novel metallic nanostructure: a freely suspended chain of single gold atoms. We find that the bond strength of the nanowire is about twice that of a bulk metallic bond. We perform ab initio calculations of the force at chain fracture and compare quantitatively with experimental measurements. The observed mechanical failure and nanoelastic processes involved during atomic wire fabrication are investigated using molecular dynamics (MD) simulations, and we find that the total effective stiffness of the nanostructure is strongly affected by the detailed local atomic arrangement at the chain bases.Comment: To be published in Phys. Rev. Lett. 4 pages with 3 figure

Continuous melting of compact polymers

The competition between chain entropy and bending rigidity in compact polymers can be addressed within a lattice model introduced by P.J. Flory in 1956. It exhibits a transition between an entropy dominated disordered phase and an energetically favored crystalline phase. The nature of this order-disorder transition has been debated ever since the introduction of the model. Here we present exact results for the Flory model in two dimensions relevant for polymers on surfaces, such as DNA adsorbed on a lipid bilayer. We predict a continuous melting transition, and compute exact values of critical exponents at the transition point.Comment: 5 pages, 1 figur

Apoplexia em tumor hipofisário

Pituitary tumor apoplexy is a medical emergency due to acute infarction or hemorrhage in the pituitary gland. In this review, the authors discuss the sellar anatomy, the pituitary gland and adenomas' vascularization and the general aspects of the syndrome such as its ethiopatogenesis, predisposing factors, clinical features, treatment and prognosis.A apoplexia em tumor hipofisário é uma emergência médica decorrente do infarto agudo ou hemorrágico na glândula hipófise. Nesta revisão os autores discutem a anatomia da região selar, a vascularização da hipófise e adenomas hipofisários, e demais aspectos da síndrome como etiopatogenia, fatores predisponentes, quadro clínico, tratamento e prognóstico

Signatures of polaronic excitations in quasi-one-dimensional LaTiO3.41_{3.41}

The optical properties of quasi-one-dimensional metallic LaTiO$_{3.41}$ are studied for the polarization along the $a$ and $b$ axes. With decreasing temperature modes appear along both directions suggestive for a phase transition. The broadness of these modes along the conducting axis might be due to the coupling of the phonons to low-energy electronic excitations across an energy gap. We observe a pronounced midinfrared band with a temperature dependence consistent with (interacting) polaron models. The polaronic picture is corroborated by the presence of strong electron-phonon coupling and the temperature dependence of the dc conductivity.Comment: 5 pages, 5 figure