Large magnetocaloric effect and magnetoresistance behavior in Gd4Co3

We report a large entropy change (ΔS) below 300 K, peaking near T _C = 220 K, due to isothermal change of magnetic field, for Gd₄Co₃, with a refrigeration capacity higher than that for, say, LaFe_11.4Si_1.6, ordering magnetically in the same temperature range. A noteworthy finding is that the isothermal magnetization is nonhysteretic — an important criterion for magnetic refrigeration without loss. ΔS behavior is also compared with that of magnetoresistance.     

Curvature and external electric field effects on the persistent current in chiral toroidal carbon nanotubes

Taking into account the intrinsic curvature, we calculate the persistent currents (I_pcs) in chiral toroidal carbon nanotubes (TCNs) by developing the supercell approach. It is shown that in the presence of curvature, the typical current (I_ty) oscillates with the unit cell number (P) and tends to be zero, while it damps exponentially in the absence of curvature. Due to the curvature effects, especially, a paramagnetism-diamagnetism transition is observed in chiral TCNs, depending on the ring diameter and chirality. In addition, the effect of external electric field energy (E_ef) on persistent current is also explored. It is shown that in the presence of electric field, I_ty vary unmonotonously with E_ef. A pronounced peak of I_ty is obtained at high E_ef region. By modulating the value of E_ef, a paramagnetism-diamagnetism or diamagnetism- paramagnetism transition is observed.     

The double M-effect induced by noble gases activated with negative ions

The M-effect (monochromatization-effect) is a powerful tool which can give high intensity monochromatic spectra with a certain wavelength depending on the type of used gas mixtures to generate plasma state. The effect consists in the emission of a single spectral line of plasmas ignited in certain gas mixtures. The main condition to obtain the M effect is the presence of an electropositive and an electronegative gas mixture. For example, in the case of Ne+H₂ monochrome radiation was obtained, the wavelength of Ne being 585.3 nm (1s²–2p⁵). In this paper we prove the general character of this effect, i.e. if the optical emission spectra reduced to nearly one line can be observed also in other gas mixture discharges, for example in the case of one electronegative gas and two electropositive gases. Different other mixtures, as Xe+Ne+H₂ and Xe+Ar+H₂ have been studied. In all these cases, the M-effect appeared without doubt.     

Aeolian transport of sand

The airborne transport of particles on a granular surface by the saltation mechanism is studied through numerical simulation of particles dragged by turbulent air flow. We calculate the saturated flux q_s and show that its dependence on the wind strength u_* is consistent with several empirical relations obtained from experimental measurements. We propose and explain a new relation for fluxes close to the threshold velocity u_t, namely, q_s=a(u_*-u_t)^α with α≈2. We also obtain the distortion of the velocity profile of the wind due to the drag of the particles and find a novel dynamical scaling relation. We also obtain a new expression for the dependence of the height of the saltation layer as function of the strength of the wind.     

124Te核1+态和高自旋态能谱特征的微观研究

利用微观sdIBM-2+2q.p.方案，成功地计算出¹²⁴Te核的低自旋态和部分高自旋态，特别是较成功地再现了1⁺₁,1⁺₂,3⁺₁，3⁺₂和5⁺₁态.基于该方案推出的能量关系指认：6⁺₁，8⁺_{关键词： 能谱特征 拆对与顺排 微观sdIBM-2+2q.p.方案 124Te核')" href="#">¹²⁴Te核}     

O<Subscript>2</Subscript> photodesorption from a Ag<Subscript>8</Subscript>O<Stack><Subscript>2</Subscript><Superscript>-</Superscript></Stack> cluster

The decay path of an Ag₈(O₂)^- cluster photoexcited by a 3.1 eV photon is elucidated using time-resolved photoelectron spectroscopy. Photoabsorption results in the formation of an excited state giving rise to a peak in the photoelectron spectra with well-resolved vibrational finestructure. With a lifetime of about 100 fs this bound state decays into an anti-bonding state which dissociates into O₂ and Ag₈^- on a timescale of 10 ps. In the photoelectron spectra, this corresponds to a broad maximum shifting gradually towards higher binding energy while the O₂ and Ag₈^- separate. Finally, the spectrum of bare Ag₈^- appears. This process is unique to small clusters, because on metal surfaces excited state lifetimes are too short to allow for direct dissociation.     

Intrinsic optical bistability in Kerr ferroelectric materials

In this paper we investigate the intrinsic optical bistability (IOB) in a ferroelectric (FE) single layer using an alternative analysis. The FE material is considered to have an intensity-dependent refractive index where the third order nonlinear susceptibility χ⁽³⁾ acts like Kerr coefficient. The nonlinear response of the FE medium is modeled using the Landau-Khalatnikov (LK) dynamical equation with the nonlinear anharmonic potential obtained from the Landau-Devonshire free energy expressed in terms of polarization. Within a single frequency approximation, the electromagnetic wave equation is written in terms of the polarization P rather than the electric field E as the dependent variable. With the application of the nonlinear boundary conditions we have derived expressions for both reflectance and transmittance as a function of the electric field incident amplitude, polarization and other material parameters. The formalism proves to be more suitable for FE materials since most of these materials have highly linear and nonlinear coefficients especially when the operating frequency is in the resonance region. The effects of thickness, operating frequency and temperature on BaTiO₃ single film are investigated theoretically. The results presented here agree in principle with the recent experimental observations of intrinsic OB in BaTiO₃ monocrystal and other FE photorefractive materials.     

Comparative study of linear entropy and negativity in molecular vibrations

The dynamical comparison of entanglement, measured by linear entropy and negativity, is carried out for initial pure separable states in vibrations of H₂O and SO₂. It is shown that both measures of an initial state with local-mode character have the same period for H₂O, while those of an initial state with normal-mode character are no longer identical in period. When the total quantum number of the initial state is one, both measures rise and lower together with the period for H₂O being larger than that for SO₂. For a suitable state in H₂O, both measures exhibit a beat phenomenon with a long period.     

Ultrathin gate dielectrics for silicon nanodevices

This paper reviews recent progress in structural and electronic characterizations of ultrathin SiO₂thermally grown on Si(100) surfaces and applications of such nanometer-thick gate oxides to advanced MOSFETs and quantum-dot MOS memory devices. Based on an accurate energy band profile determined for the n ⁺ -poly- Si/SiO₂/Si(100) system, the measured tunnel current through ultrathin gate oxides has been quantitatively explained by theory. From the detailed analysis of MOSFET characteristics, the scaling limit of gate oxide thickness is found to be 0.8 nm. Novel MOSFETs with a silicon quantum-dot floating gate embedded in the gate oxide have indicated the multiple-step electron injection to the dot, being interpreted in terms of Coulombic interaction among charged dots.     

Self-assembly of Mo<Subscript> 6</Subscript>S<Subscript> 8</Subscript> clusters on the Au(111) surface

The preferred adsorption sites and the propensity for a self-organised growth of the molybdenum sulfide cluster Mo₆S₈ on the Au(111) surface are investigated by density-functional band-structure calculations with pseudopotentials and a plane wave basis set. The quasi-cubic cluster preferentially adsorbs via a face and remains structurally intact. It experiences a strong, mostly non-ionic attraction to the surface at several quasi-isoenergetic adsorption positions. A scan of the potential energy surface exhibits only small barriers between adjacent strong adsorption sites. Hence, the cluster may move in a potential well with degenerate local energy minima at room temperature. The analysis of the electronic structure reveals a negligible electron transfer and S-Au hybridised states, which indicate that the cluster-surface interaction is dominated by S-Au bonds, with minor contributions from the Mo atom in the surface vicinity. All results indicate that Mo₆S₈ clusters on the Au(111) surface can undergo a template-mediated self-assembly to an ordered inorganic monolayer, which is still redox active and may be employed as surface-active agent in the integration of noble metal and ionic or biological components within nano-devices. Therefore, a classical potential model was developed on the basis of the DFT data, which allows to study larger cluster assemblies on the Au(111).     

Nonlinear magnetic response in ruthenocuprates

We have performed an investigation of the nonlinear magnetic response in ruthenocuprates. A negative, diverging-like peak at the main magnetic transition T_N in RuSr₂ RECu₂O₈ (RE = Gd, Y) indicates a possible canted antiferromagnetic order. Another well defined feature above T_N points to a blocking of superparamagnetic particles through the T^-3 dependence of the third harmonic at higher temperatures. Below T_N a nondiverging peak appears, which is strongly affected by the addition of 10% of Cu ions in the RuO₂ planes. In RuSr₂ RE _2-xCe_xCu₂O₁₀ the main magnetic transition T_M is accompanied by two characteristic temperatures in the third harmonic of the ac susceptibility, in agreement with recent studies from μSR and M?ssbauer spectroscopy. We find that the spin-spin correlation temperature is the same in both families of ruthenocuprates.     

Chiral Invariant Phase Space model

The CHIPS (CHiral Invariant Phase Space) model is used for approximation of the Drell-Yan process in hadron-nucleon interactions. It is proved that the Drell-Yan cross-section at low p _T ² is a function of only x₁ and x₂ and does not evolve as a function of the squared mass of the lepton pair M². The CHIPS model predicts that the Drell-Yan structure functions evolve as a function of p _T ² . This p _T ² evolution can be measured in experiments at RHIC and LHC.     

A density functional theory study on the H2S molecule adsorption onto small gold clusters

An all-electron scalar relativistic calculation on Au_nH₂S (n = 1-13) clusters has been performed by using density functional theory with the generalized gradient approximation at PW91 level. The small gold cluster would like to bond with sulfur in the same plane and the H₂S molecule prefers to occupy the on-top and single fold coordination site in the cluster. The Au_n structures and H₂S molecule in all Au_nH₂S clusters are only slightly perturbed and still maintain their structural integrity. After adsorption, the S-H, H-H bond-lengths and most Au-Au bond-lengths are elongated, only a few Au-Au bond-lengths far from H₂S molecule are shortened. The reactivity enhancement of H₂S molecule is obvious and the strong gold-sulfur bond is observed expectedly. The most favorable adsorption takes place in the case that the H₂S molecule is adsorbed by an even-numbered Au_n cluster and becomes Au_nH₂S cluster with even number of valence electrons. It is believed that the strong scalar relativistic effect is favorable to H₂S molecule adsorption onto small gold clusters and is also one of the important reasons for the strong gold-sulfur bond.     

Microwave surface resistance of pristine and neutron-irradiated MgB<Subscript>2</Subscript> samples in magnetic field

We report on the microwave surface resistance of two polycrystalline Mg¹¹ B₂ samples; one consists of pristine material, the other has been irradiated at very high neutron fluence. It has already been reported that in the strongly irradiated sample the two gaps merge into a single value. The mw surface resistance has been measured in the linear regime as a function of the temperature and the DC magnetic field, at increasing and decreasing fields. The results obtained in the strongly irradiated sample are quite well justified in the framework of a generalized Coffey and Clem model, in which we take into account the field distribution inside the sample due to the critical state. The results obtained in the pristine sample show several anomalies, especially at low temperatures, which cannot be justified in the framework of standard models for the fluxon dynamics. Only at temperatures near T_c and for magnetic fields greater than 0.5H_c2(T) the experimental data can quantitatively be accounted for by the Coffey and Clem model, provided that the upper-critical-field anisotropy is taken into due account.     

Accounting for the energies and entropies of kinesin’s catalytic cycle

When the processive motor protein kinesin walks along the biopolymer microtubule it can occasionally make a backward step. Recent single molecule experiments on moving kinesin have revealed that the forward-to-backward step ratio decreases exponentially with the load force. Carter and Cross (Nature 435, 308-312, 2005) found that this ratio tightly followed 802 × exp[−0.95F], where F is the load force in piconewtons. A straightforward analysis of a Brownian step leads to L/(2k _B T) as the factor in front of the load force, where L is the 8 nm stepsize, k _B is the Boltzmann constant, and T is the temperature. The factor L/(2k _B T) does indeed equal 0.95 pN⁻¹. The same analysis shows how the 802 prefactor derives from the power stroke energy G as exp[G/(2k _B T)]. There are indications that the power stroke derives from the entropically driven coiling of the 30 amino acid neck linker that connects the two kinesin heads. This idea is examined and consequences are deduced.     

Experimental lifetime of some level belonging to the 5p46d configuration of XeII

Lifetimes of eight levels belonging to the 5p⁴6d configuration of singly ionized xenon have been measured by high frequency deflection technique with a delayed coincidence single photon counting arrangement. The results have been compared with other experimental and theoretical values. The lifetimes of the 6d ²F_3/2 and 6d ⁴F_3/2 levels have been measured for the first time.     

Conserving quasiparticle calculations for small metal clusters

A novel approach for GW-based calculations of quasiparticle properties for finite systems is presented, in which the screened interaction is obtained directly from a linear response calculation of the density-density correlation function. The conserving nature of our results is shown by explicit evaluation of the f-sum rule. As an application, energy renormalizations and level broadenings are calculated for the closed-shell Na₉ ⁺ and Na₂₁ ⁺ clusters, as well as for Na₄. Pronounced improvements of conserving approximations to RPA-level results are obtained.     

Competition between Jahn-Teller effect and spin-orbit coupling in Td Au20 ±γ, γ = 1,2,3

In this work we explored the competition between spin-orbit and Jahn-Teller effects as decisive influences in the ground states of the T_d Au₂₀ ^±γ (γ=1,2,3). All our electronic calculations were based in the relativistic density functional theory in the zeroth-order regular approximation (ZORA) to the Dirac equation. Calculations were done in both versions of ZORA: scalar relativistic and full-relativistic including the spin-orbit interaction. We concluded that for the Au₂₀ ^-3 ion is necessary to use a full-relativistic theory in order to predict a symmetry-lowering from tetrahedral. We predict a trigonal C_3v isomeric form for this trianion due to a Jahn-Teller distortion of its parent T_d. For the rest of ions we found a tendency to conserve their pristine tetrahedral configurations. In these cases we found one of both possibilities: a quenching of the vibronic interaction by spin-orbit coupling or simply a weak Jahn-Teller effect which is not enough to distort appreciably the cluster.     

Magnetoelectric Cr<Subscript>2</Subscript>O<Subscript>3</Subscript> and relativity theory

Based on the dielectric continuum phonon model, uniaxialmodel and force balance equation the mobility of two dimensional electrongas in wurtzite Al_xGa_1-xN/GaN/Al_xGa_1-xN quantum wells isdiscussed theoretically within the temperature range dominated by opticalphonons. The dependences of the electron mobility on temperature, Al molarfraction and electron sheet density are presented including hydrostaticpressure effect. The built-in electric field is also taken into account. Itis found that under normal pressure the main contribution to the mobility isfrom the scattering of interface optical phonons in narrow (for well widthd < 12 Å) and wide (for d > 117 Å and d > 65 Å for finitelythick barriers and infinitely thick ones, respectively) wells, whereas thatis from the scattering of confined optical phonons in a well with anintermediate width. It is shown that the electron mobility decreases withincreasing Al molar fraction and temperature, whereas increases obviouslywith increasing electron sheet density. The theoretical calculated electronmobility is 978 cm²/V?s which is higher than an available experimentaldata 875 cm²/V?s when x equals to 0.58 at room temperature. Theresults under hydrostatic pressure considering the modification of strainindicate that the mobility increases slightly as hydrostatic pressureincreases from 0 to 10 GPa.     

Dissipative oscillations in spatially restricted ecosystems due to long range migration

An ecosystem containing three interacting species is studied using both Mean Field approach and Kinetic Monte Carlo simulations on a lattice substrate. The so called 3rd order LLV model involves birth, death and reaction processes with 3rd order nonlinearities and feedbacks. At the mean field level this system exhibits conservative oscillations; the analytic form of the constant of motion is presented. The stochastic simulations show that the density oscillations disappear for sufficiently large lattices, while they are present locally, on small lattice windows. Introduction of mixing via long range migration in the two reacting species changes this picture. For small migration rates p, the behavior remains as with p = 0 and the system is divided into local asynchronous oscillators. As p increases the system passes through a phase transition and exhibits a weak disorder limit cycle through a supercritical Hopf-like bifurcation. The amplitude of the limit cycle depends on the rate p, on the range of migration r and on the system kinetic rates k₁, k₂ and k₃.