Two-Stage Rotational Disordering of a Molecular Crystal Surface: C60

We propose a two-stage mechanism for the rotational surface disordering phase transition of a molecular crystal, as realized in C$_{60}$ fullerite. Our study, based on Monte Carlo simulations, uncovers the existence of a new intermediate regime, between a low temperature ordered $(2 \times 2)$ state, and a high temperature $(1 \times 1)$ disordered phase. In the intermediate regime there is partial disorder, strongest for a subset of particularly frustrated surface molecules. These concepts and calculations provide a coherent understanding of experimental observations, with possible extension to other molecular crystal surfaces.Comment: 4 pages, 2 figure

Phonon Properties of Knbo3 and Ktao3 from First-Principles Calculations

The frequencies of transverse-optical $\Gamma$ phonons in KNbO$_3$ and KTaO$_3$ are calculated in the frozen-phonon scheme making use of the full-potential linearized muffin-tin orbital method. The calculated frequencies in the cubic phase of KNbO$_3$ and in the tetragonal ferroelectric phase are in good agreement with experimental data. For KTaO$_3$, the effect of lattice volume was found to be substantial on the frequency of the soft mode, but rather small on the relative displacement patterns of atoms in all three modes of the $T_{1u}$ symmetry. The TO frequencies in KTaO$_3$ are found to be of the order of, but somehow higher than, the corresponding frequencies in cubic KNbO$_3$.Comment: 8 pages + 1 LaTeX figure, Revtex 3.0, SISSA-CM-94-00

Gigantic anisotropic uniaxial pressure effect on superconductivity within the CuO2 plane of La1.64Eu0.2Sr0.16CuO4 - strain control of stripe criticality

The effect of uniaxial pressure on superconductivity was examined for a high-Tc cuprate La1.64Eu0.2Sr0.16CuO4, which is located at the boundary between the superconducting and stripe phases. We found remarkably large anisotropy of the uniaxial pressure effect not only between the in-plane and out-of-plane pressures but also within the CuO2-plane. When the pressure is applied along the tetragonal [110] direction, we found the largest pressure effect ever observed in cuprates, dTc/dP - 2.5 K/kbar, while the change of Tc was not appreciable when applied along [100]. This substantial in-plane anisotropy is attributed to an intimate link between the symmetry of the one-dimensional stripes and that of the strain produced within the CuO2 plane.Comment: 4 pages including 3 figure

Spin Dynamics in the LTT Phase of ~1/8 Doped Single Crystal La_{1.67}Eu_{0.2}Sr_{0.13}CuO_4

We present La and Cu NMR relaxation measurements in single crystal La_{1.67}Eu_{0.2}Sr_{0.13}CuO_4. A strong peak in the La spin-lattice relaxation rate observed in the spin ordered state is well-described by the BPP mechanism[1] and arises from continuous slowing of electronic spin fluctuations with decreasing temperature; these spin fluctuations exhibit XY-like anisotropy in the ordered state. The spin pseudogap is enhanced by the static charge-stripe order in the LTT phase.Comment: Four pages, three figure

Path integral Monte Carlo simulations of silicates

We investigate the thermal expansion of crystalline SiO$_2$ in the $\beta$-- cristobalite and the $\beta$-quartz structure with path integral Monte Carlo (PIMC) techniques. This simulation method allows to treat low-temperature quantum effects properly. At temperatures below the Debye temperature, thermal properties obtained with PIMC agree better with experimental results than those obtained with classical Monte Carlo methods.Comment: 27 pages, 10 figures, Phys. Rev. B (in press

Nature of ege_g Electron Order in La1−x_{1-x}Sr1+x_{1+x}MnO4_4

Synchrotron x-ray scattering measurements of the low-temperature structure of the single-layer manganese oxide La$_{1-x}$Sr$_{1+x}$MnO$_4$, over the doping range $0.33 \le x \le 0.67$, indicate the existence of three distinct regions: a disordered phase ($x < 0.4$), a charge-ordered phase ($x \ge 0.5$), and a mixed phase ($0.4 \le x 0.5$, the modulation vector associated with the charge order is incommensurate with the lattice and depends linearly on the concentration of $e_g$ electrons. The primary superlattice reflections are strongly suppressed along the modulation direction and the higher harmonics are weak, implying the existence of a largely transverse and nearly sinusoidal structural distortion, consistent with a charge density wave of the $e_g$ electrons.Comment: 4 pages, 4 figure

Parameters of the Effective Singlet-Triplet Model for Band Structure of High-TcT_c Cuprates by Different Approaches

The present paper covers the problem of parameters determination for High-$T_c$ superconductive copper oxides. Different approaches, {\it ab initio} LDA and LDA+U calculations and Generalized Tight-Binding (GTB) method for strongly correlated electron systems, are used to calculate hopping and exchange parameters of the effective singlet-triplet model for $CuO_2$-layer. The resulting parameters are in remarkably good agreement with each other and with parameters extracted from experiment. This set of parameters is proposed for proper quantitative description of physics of hole doped High-$T_c$ cuprates in the framework of effective models.Comment: PACS 74.72.h; 74.20.z; 74.25.Jb; 31.15.A

X-Ray Specular Reflection Studies of Silicon Coated by Organic Monolayers (Alkylsiloxanes)

X-ray specular reflectivity has been used to characterize the structure of silicon–silicon-oxide surfaces coated with chemisorbed hydrocarbon monolayer films (alkylsiloxanes). Using synchrotron radiation the reflectivity was followed over 9 orders of magnitude, from grazing incidence to an incident angle of φ≊6.5°, or q=(4π/λ)sin(φ)=0.8 Å-1, allowing a spatial resolution of features approximately π/0.8≊4.0 Å along the surface normal. Analysis was performed by fitting the data to reflectivities calculated from models of the surface electron density and by calculating Patterson functions directly from the data. Although the measured reflectivities could be equally well described by different sets of model parameters, the electron densities calculated from these different parameters were remarkably alike. Inspection of the electron densities allowed identification of a layer of SiO2 (≊17-Å thick), a layer of head-group region where the alkylsiloxane adsorbs to the SiO2, and the hydrocarbon layer. Fitting the data also required that the various interfaces have different widths. The fact that the same local hydrocarbon density of 0.85 g/cm3 was observed for both fully formed and partially formed monolayers with alkane chains of varying length excluded a model in which the partially formed monolayer was made up of separated islands of well-formed monolayers. Measurements before and after chemical reaction of a monolayer in which the alkyl chain was terminated by an olefinic group demonstrated the ability to use x-ray reflectivity to characterize chemical changes. The effects of radiation damage on these types of measurements are described.Engineering and Applied Science

DRAM-3 modulates autophagy and promotes cell survival in the absence of glucose

Macroautophagy is a membrane-trafficking process that delivers cytoplasmic constituents to lysosomes for degradation. The process operates under basal conditions as a mechanism to turnover damaged or misfolded proteins and organelles. As a result, it has a major role in preserving cellular integrity and viability. In addition to this basal function, macroautophagy can also be modulated in response to various forms of cellular stress, and the rate and cargoes of macroautophagy can be tailored to facilitate appropriate cellular responses in particular situations. The macroautophagy machinery is regulated by a group of evolutionarily conserved autophagy-related (ATG) proteins and by several other autophagy regulators, which either have tissue-restricted expression or operate in specific contexts. We report here the characterization of a novel autophagy regulator that we have termed DRAM-3 due to its significant homology to damage-regulated autophagy modulator (DRAM-1). DRAM-3 is expressed in a broad spectrum of normal tissues and tumor cells, but different from DRAM-1, DRAM-3 is not induced by p53 or DNA-damaging agents. Immunofluorescence studies revealed that DRAM-3 localizes to lysosomes/autolysosomes, endosomes and the plasma membrane, but not the endoplasmic reticulum, phagophores, autophagosomes or Golgi, indicating significant overlap with DRAM-1 localization and with organelles associated with macroautophagy. In this regard, we further proceed to show that DRAM-3 expression causes accumulation of autophagosomes under basal conditions and enhances autophagic flux. Reciprocally, CRISPR/Cas9-mediated disruption of DRAM-3 impairs autophagic flux confirming that DRAM-3 is a modulator of macroautophagy. As macroautophagy can be cytoprotective under starvation conditions, we also tested whether DRAM-3 could promote survival on nutrient deprivation. This revealed that DRAM-3 can repress cell death and promote long-term clonogenic survival of cells grown in the absence of glucose. Interestingly, however, this effect is macroautophagy-independent. In summary, these findings constitute the primary characterization of DRAM-3 as a modulator of both macroautophagy and cell survival under starvation conditions