Pressure effects on the Raman spectrum of CaZnF4CaZnF_4

The pressure influence on the lattice vibration of $CaZnF_4$ has been studied by Raman diffusion up to 17 GPa. Most Raman frequencies increase with increasing pressure. Three singularities in the pressure induced frequency evolution are observed around 1.5 GPa, 10 GPa and 17 GPa. The samples pressurized to 17 GPa or higher do not revert to the ambient pressure phase after being released, the new phase showing different Raman spectra from the ordinary one. It is suggested that $CaZnF_4$ undergoes probably sudden lattice deformations at about 1.5 GPa and 10 GPa, and an irreversible phase transformation above 17 GPa.Comment: LaTeX file, 3 ps figures, 8 page

Atomistic mechanisms for the ordered growth of Co nano-dots on Au(788): comparison of VT-STM experiments and multi-scaled calculations

Hetero-epitaxial growth on a strain-relief vicinal patterned substrate has revealed unprecedented 2D long range ordered growth of uniform cobalt nanostructures. The morphology of a Co sub-monolayer deposit on a Au(111) reconstructed vicinal surface is analyzed by Variable Temperature Scanning Tunneling Microscopy (VT-STM) experiments. A rectangular array of nano-dots (3.8 nm x 7.2 nm) is found for a particularly large deposit temperature range lying from 60 K to 300 K. Although the nanodot lattice is stable at room temperature, this paper focus on the early stage of ordered nucleation and growth at temperatures between 35 K and 480 K. The atomistic mechanisms leading to the nanodots array are elucidated by comparing statistical analysis of VT-STM images with multi-scaled numerical calculations combining both Molecular Dynamics for the quantitative determination of the activation energies for the atomic motion and the Kinetic Monte Carlo method for the simulations of the mesoscopic time and scale evolution of the Co submonolayer

Structure of self-organized Fe clusters grown on Au(111) analyzed by Grazing Incidence X-Ray Diffraction

We report a detailed investigation of the first stages of the growth of self-organized Fe clusters on the reconstructed Au(111) surface by grazing incidence X-ray diffraction. Below one monolayer coverage, the Fe clusters are in "local epitaxy" whereas the subsequent layers adopt first a strained fcc lattice and then a partly relaxed bcc(110) phase in a Kurdjumov-Sachs epitaxial relationship. The structural evolution is discussed in relation with the magnetic properties of the Fe clusters.Comment: 7 pages, 6 figures, submitted to Physical Review B September 200

Interaction of (3-Aminopropyl)triethoxysilane with Pulsed Ar-O 2 Afterglow: Application to Nanoparticles Synthesis

International audienceThe interaction of (3-Aminopropyl)triethoxysilane (APTES) with pulsed late Ar-O 2 afterglow is characterized by the synthesis of OH, CO and CO 2 in the gas phase as main by-products. Other minor species like CH, CN and C 2 H are also produced. We suggest that OH radicals are produced in a first step by dehydrogenation of APTES after interaction with oxygen atoms. In a second step, the molecule is oxidized by any O 2 state, to form peroxides that transform into by-products, break thus the precursor CC bonds. If oxidation is limited, i.e. a low duty cycle, fragmentation of the precursor is limited and produced nanoparticles keep the backbone structure of the precursor, but contain amide groups produced from the amine groups initially available in APTES. At high duty cycle, silicon-containing fragments contain some carbon and react together and produce nanoparticles with a non-silica-like structure

Universal scaling in sports ranking

Ranking is a ubiquitous phenomenon in the human society. By clicking the web pages of Forbes, you may find all kinds of rankings, such as world's most powerful people, world's richest people, top-paid tennis stars, and so on and so forth. Herewith, we study a specific kind, sports ranking systems in which players' scores and prize money are calculated based on their performances in attending various tournaments. A typical example is tennis. It is found that the distributions of both scores and prize money follow universal power laws, with exponents nearly identical for most sports fields. In order to understand the origin of this universal scaling we focus on the tennis ranking systems. By checking the data we find that, for any pair of players, the probability that the higher-ranked player will top the lower-ranked opponent is proportional to the rank difference between the pair. Such a dependence can be well fitted to a sigmoidal function. By using this feature, we propose a simple toy model which can simulate the competition of players in different tournaments. The simulations yield results consistent with the empirical findings. Extensive studies indicate the model is robust with respect to the modifications of the minor parts.Comment: 8 pages, 7 figure

Kondo Insulator: p-wave Bose Condensate of Excitons

In the Anderson lattice model for a mixed-valent system, the $d-f$ hybridization can possess a $p$-wave symmetry. The strongly-correlated insulating phase in the mean-field approximation is shown to be a $p$-wave Bose condensate of excitons with a spontaneous lattice deformation. We study the equilibrium and linear response properties across the insulator-metal transition. Our theory supports the empirical correlation between the lattice deformation and the magnetic susceptibility and predicts measurable ultrasonic and high-frequency phonon behavior in mixed-valent semiconductors.Comment: 5 pages, 3 encapsulated PostScript figure

Relaxation and reconstruction on (111) surfaces of Au, Pt, and Cu

We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface stress, interatomic force constants, and other relevant quantities by ab initio electronic structure calculations using the density functional theory (DFT), in a slab geometry with periodic boundary conditions. We have estimated the stability towards a quasi-one-dimensional reconstruction by using the calculated quantities as parameters in a one-dimensional Frenkel-Kontorova model. On all surfaces we have found an intrinsic tensile stress. This stress is large enough on Au and Pt surfaces to lead to a reconstruction in which a denser surface layer is formed, in agreement with experiment. The experimentally observed differences between the dense reconstruction pattern on Au(111) and a sparse structure of stripes on Pt(111) are attributed to the details of the interaction potential between the first layer of atoms and the substrate.Comment: 8 pages, 3 figures, submitted to Physical Review

Non-thermal transport of energy driven by photoexcited carriers in switchable solid states of GeTe

Phase change alloys have seen widespread use from rewritable optical discs to the present day interest in their use in emerging neuromorphic computing architectures. In spite of this enormous commercial interest, the physics of carriers in these materials is still not fully understood. Here, we describe the time and space dependence of the coupling between photoexcited carriers and the lattice in both the amorphous and crystalline states of one phase change material, GeTe. We study this using a time-resolved optical technique called picosecond acoustic method to investigate the \textit{in situ} thermally assisted amorphous to crystalline phase transformation in GeTe. Our work reveals a clear evolution of the electron-phonon coupling during the phase transformation as the spectra of photoexcited acoustic phonons in the amorphous ($a$-GeTe) and crystalline ($\alpha$-GeTe) phases are different. In particular and surprisingly, our analysis of the photoinduced acoustic pulse duration in crystalline GeTe suggests that a part of the energy deposited during the photoexcitation process takes place over a distance that clearly exceeds that defined by the pump light skin depth. In the opposite, the lattice photoexcitation process remains localized within that skin depth in the amorphous state. We then demonstrate that this is due to supersonic diffusion of photoexcited electron-hole plasma in the crystalline state. Consequently these findings prove the existence of a non-thermal transport of energy which is much faster than lattice heat diffusion

DFT study of pressure induced phase transitions in LiYF4

An investigation of the pressure induced phase transition from the scheelite phase (I41/a, Z=4) to the fergusonite-like phase (I2/a, Z=4)/LaTaO(P21/c, Z=4) of LiYF4 is presented. Employing density functional theory (DFT) within the generalized gradient approximation, the internal degrees of freedom were relaxed for a pressure range of 0 GPa to 20 Gpa. The influence of pressure on the lattice vibration spectrum of the scheelite phase (I41/a, Z=4) was evaluated using the direct approach, i.e. using force constants calculated from atomic displacements. The transition volume is in good agreement with experiment, while the transition pressure is overestimated of 6 GPa. At 20 GPa, a P21/c structure with apentacoordinated lithium cation is found to be the most stable phase. This structure is compatible with a transition driven by a Bg zone-center soft optic mode linked to a soft-acoustic mode along the [11-1] direction as observed for the proper ferroelastic transition of BiVO4