Dimerization in the commensurate network of 4-n-octyl-4’-cyanobiphenyl (8CB) molecules adsorbed on MoS $_\mathsf{2}$ single crystal

By combining X-ray diffraction under grazing incidence (GIXD) and scanning tunneling microscopy (STM) measurements, we have determined the structure of 4-n-octyl-4-cyanobiphenyl (8CB) molecules adsorbed on MoS₂, under the thick organic film. The commensurability of the adsorbed network and the unit cell structure have been determined, revealing a complex 2D structure. This structure is characterized by straight ribbons with two types of ribbons, alternatively stacked. In one type, molecules are equally spaced, as they are paired in the other type. Considering the energetics of adsorption with a model of single ribbon, we recover the two observed ribbon structures. The alternate stacking of the ribbons appears as a consequence of the connection between the commensurabilities in the two main crystallographic directions. Moreover, we have found a particularly high value for the molecule-substrate potential corrugations, indicating that the dipole moment of 8CB molecules could play a fundamental role in the molecule-substrate interactions.Received: 1 April 2004, Published online: 29 June 2004PACS: 61.10.-i X-ray diffraction and scattering - 68.35.Bs Structure of clean surfaces (reconstruction) - 61.30.-v Liquid crystals - 68.35.Md Surface thermodynamics, surface energies     

Finite-temperature transitions in dipolar spin ice in a large magnetic field

We use Monte Carlo simulations to identify the mechanism that allows for phase transitions in dipolar spin ice to occur and survive for an applied magnetic field H much larger in strength than that of the spin-spin interactions. In the most generic and highest symmetry case, the spins on one out of four sublattices of the pyrochlore decouple from the total local exchange+dipolar+applied field. In the special case where H is aligned perfectly along the [110] crystallographic direction, spin chains perpendicular to H show a transition to q=X long-range order, which proceeds via a one- to three-dimensional crossover. We propose that these transitions are relevant to the origin of specific heat features observed in powder samples of the Dy2Ti2O7 spin ice material for H above 1 Tesla.     

Raman active phonons of identified semiconducting single-walled carbon nanotubes

The resonant Raman spectra of (n, m) semiconducting single-walled carbon nanotubes, unambiguously identified from their electron diffraction patterns, have been measured. The diameter dependence of the frequency of the tangential modes with A symmetry has been obtained in the diameter range from 1.4 to 2.5 nm. The comparison between the excitation energies and the calculated transition energies allowed us to determine precisely the values of the Es33 and Es44 transition energies. Finally, in the debate concerning the dominant process at the origin of the first-order Raman scattering in single-walled carbon nanotubes (single resonance process or double resonance process), our results are well understood in the framework of a single resonance process.     

Surface phase diagram and temperature induced phase transitions of Sn/Cu(1 0 0)

Room temperature deposition of Sn on Cu(1 0 0) gives rise to a rich variety of surface reconstructions in the submonolayer coverage range. In this work, we report a detailed investigation on the phases appearing and their temperature stability range by using low-energy electron diffraction and surface X-ray diffraction. Previously reported reconstructions in the submonolayer range are p(2 × 2) (for 0.2 ML), p(2 × 6) (for 0.33 ML), ()R45° (for 0.5 ML), and c(4 × 4) (for 0.65 ML). We find a new phase with a structure for a coverage of 0.45 ML. Furthermore, we analyze the temperature stability of all phases. We find that two phases exhibit a temperature induced reversible phase transition: the ()R45° phase becomes ()R45° phase above 360 K, and the new phase becomes p(2 × 2) also above 360 K. The origin of these two-phase transitions is discussed.     

Conformational Analysis of Baclofen Analogues by 1H and 13C NMR: Phaclofen,Saclofen, and Hydroxy-Saclofen. Influence of the Anionic Moiety

The conformations of three analogues of baclofen 1: phaclofen, saclofen, and hydroxy-saclofen 2–4, potent GABA_B antagonists, in solution (D₂O) are estimated from high-resolution (300 MHz) H NMR coupling data. Conformations and populations of conformers are calculated by means of a modified Karplus-like relationship for the vicinal coupling constants. H NMR spectral analysis evidences how 1–3 keep in solution the preferred a conformation around C3-C4 bond. A partial rotation is set up around C2–C3 bond (the conformations about C2–C3 are all highly populated in solution) particularly for 2 and 3 while 1 shows a relative preferred a conformation. This evidences the influence of the anionic moiety.     

Structural relaxation and aging scaling in the Coulomb and Bose glass models

We employ Monte Carlo simulations to study the relaxation properties of the two-dimensional Coulomb glass in disordered semiconductors and the three-dimensional Bose glass in type-II superconductors in the presence of extended linear defects. We investigate the effects of adding non-zero random on-site energies from different distributions on the properties of the correlation-induced Coulomb gap in the density of states (DOS) and on the non-equilibrium aging kinetics highlighted by the density autocorrelation functions. We also probe the sensitivity of the system’s equilibrium and non-equilibrium relaxation properties to instantaneous changes in the density of charge carriers in the Coulomb glass or flux lines in the Bose glass.