Monte Carlo and coarse graining renormalization studies for the XY model with cubic anisotropy

The XY model with cubic anisotropy is studied using a Monte Carlo coarse graining renormalization calculation. Particular emphasis is placed on the accuracy of phase diagrams and the finite-size effects on the phase transition. Non-universal behavior of the correlation-length critical exponent v with respect to variation of the cubic anisotropic field h₄ is analysed and an empirical formula v = [1 − exp(− ch₄)]⁻¹ is proposed. The results are discussed with reference to the surface reconstruction phase transition of the W(001) surface.     

An FTIR study of the bonding of methoxy on Ni(100): effects of coadsorbed sulfur, carbon monoxide and hydrogen

The vibrational spectra of CH₃O_(a), CD₃O_(a), CDH₂O_(a) and CD₂HO_(a) on Ni(100) are analyzed and interpreted in terms of resonances between fundamental modes and either combinations or overtones. Analysis of the symmetry of the modes observed suggests that methoxy binds normal to the surface with C_s symmetry, at least at low coverages. Two distinct vibrational bands emerge in the vibrational spectrum of methoxy in the v(CO) region as the coverage increases which are attributed to bonding in four-fold hollow sites and bridging sites. These bands exhibit blue shifts of about 25 cm⁻¹ with increasing coverage up to the saturation coverage. The vibrational bands in the v(CH) region appear concomitantly at all coverages and shift down 12 cm⁻¹ as the coverage is increased. These shifts are attributed to changes in the metal-oxygen bond which are reflected in changes in the strength of the C---O and C---H bonds. Affects on the bonding also appear to occur with the coadsorption of hydrogen or CO with methoxy. Coadsorption of 0.36 ML hydrogen with 0.04 ML methoxy induces blue shifts of 15 and 7 cm⁻¹ for the v(CO) bands at 949 and 984 cm⁻¹, respectively. Adsorbing 0.43 ML of CO with 0.04 ML methoxy (and 0.04 ML hydrogen) causes a red shift of 20 and 12 cm⁻¹ for these bands. A drastic drop in mode intensities for methoxy when CO is coadsorbed suggests that the methoxy tilts away from the surface normal. Pre-adsorbing sulfur on the Ni(100) surface reduces the amount of methoxy formed from methanol, but the v(CO) methoxy bands are unshifted in frequencies relative to their position for the same methoxy coverage on the clean surface.     

基于ab initio的BD~+离子激光冷却理论研究

基于相关一致基组aug-cc-pV5Z,采用内收缩多参考组态相互作用方法计算了BD~+离子两个最低解离极限B~+(~1Sg)+D(~2Sg)和B+(~3Pu)+D(~2Sg)对应的5个Λ—S态(X~2Σ~+,A~2Π,B~2Σ+,a~4Π和b~4Σ~+)的势能曲线和跃迁偶极矩.根据计算结果,求解核运动的径向薛定谔方程得到相应电子态的振-转光谱常数、Franck-Condon(F-C)因子和振动能级辐射寿命.其中A~2Π—X~2Σ~+的F-C因子(f_(00)=0.923)、辐射寿命(τ=235 ns)满足激光直接冷却的条件.因此,我们基于分子转动跃迁提出了一个可实现Doppler激光冷却的光循环方案:A~2Π_(1/2)(υ′=0)—X~2Σ+(υ′′=0,1),其中υ′=0中包含2个转动能级,υ′′=0和υ′′=1中分别包含6个和4个转动能级.根据方案,模拟了激光冷却过程中的分子布居数动力学变化过程,并计算了初速度为100 m/s的BD~+,历经5.4 ms散射1150个光子可减速到4.6 m/s、温度为13 mK.     

Conductivity anisotropy in directionally solidified CaZrO3---CaSZ and MgO-MgSZ eutectics

The results of the impedance spectroscopy measurements on eutectic samples based on zirconium oxide are presented here. Samples of CaZrO₃---ZrO₂(cubic) and MgO---ZrO₂(cubic) have been grown by a directional solidification procedure such that the different phases appear nearly oriented along the growth direction (lamellae in the system of CaZrO₃-ZrO₂(cubic) and fibers of MgO in a ZrO₂ matrix in the other system). The DC electrical conductivity has been measured by impedance spectroscopy along and across the growth axis. For CaZrO₃---ZrO₂ the coductivity is clearly anisotropic. The following values for σT have been obtained: the conductivity at 600 °C equals 2.0 × 10⁻⁶ Ω⁻¹ cm⁻¹ perpendicular to the fiber axis and 1.4 × 10⁻⁵ Ω⁻¹ cm⁻¹ parallel to it and with an activation energy of 1.3 eV for σT. For MgO---ZrO₂(cubic) the isotropic value of the conductivity at 600 °C is 10⁻⁴ Ω⁻¹ cm⁻¹ with activation energy for σT of 1.5 eV. The anisotropic conductivity in the CaZrO₃---ZrO₂ (cubic) system has been explained by a model of an ordered stacking of oxygen conducting (cubic ZrO₂) and non-conducting (CaZrO₃ or MgO) phases.     

Magnetic aftereffect associated with narrow domain walls in some rare earth based intermetallic compounds

Using quasi-static fields and pulsed fields we have measured the magnetization rate dM/dt = v as a function of field H for Dy₃Al₂ and DyCoNi which present narrow domain walls. The experimental results follow the empirical law v = v∞ exp (−H_o/H). An analogous experimental law has been observed for domain reversal in ferroelectrics and for dislocation motion.     

Improvement in superconductivity of TlBa2CaCu2Oy system by introduction of oxygen loss

The T_c and oxygen content of TlBa₂CaCu₂O_y have been investigated by quenching experiments, in which the heat-treated samples were dropped into liquid nitrogen. The oxygen loss, v, of TlBa₂CaCu₂O_{yo − v} was determined by thermogravimetry in a nitrogen atmosphere using an oxygen-annealed specimen of TlBa₂CaCu₂O_yo and also by measurements of the weight differences before and after quenching. T_c increased from 80 K of the oxygen-annealed specimen up to about 110 K with increasing oxygen loss up to v = 0.035 by annealing at 500°C in a nitrogen atmosphere. Judging from the high T_c above 110 K achieved by a small oxygen loss about v = 0.035, the as-sintered oxygen-annealed TlBa₂CaCu₂O_yo specimen was in the over-doping state and probably has an oxygen vacancy of 7 − y_o0.     

Vibrationally resolved band profiles for autoionisation of NO (cΠ) nℓλ (vR=0) Rydberg states into NO AΠ (vi=0, 1, 2) vibronic levels

Excitation spectra for dispersed VUV-fluorescence of NO (λ_fl=134–152 nm) were measured in the exciting-photon energy range between 16.9 and 24.8 eV using monochromatised synchrotron radiation at medium bandwidth of 29 meV. Fluorescence from A¹Π (v_i=0, 1, 2) vibronic NO⁺-levels and fluorescence from excited dissociation fragments NI (3s ²P_J) was observed simultaneously by recording the dispersed fluorescence with a monochromator–position-sensitive detector combination. The autoionisation of NO (c³Π) nℓλ (v_R=0) Rydberg levels into the NO⁺ A¹Π (v_i=0, 1, 2) vibronic levels was observed vibrationally resolved. Different Beutler–Fano profiles for autoionisation of one Rydberg level NO (c³Π) nℓλ (v_R=0) into the different vibronic NO⁺ A¹Π (v_i=0, 1, 2) levels are clearly visible. The dependence of the Beutler–Fano profiles on the quantum numbers n, ℓ, and λ of the Rydberg electron is discussed. For the direct photoionisation into the NO⁺ A¹Π (v_i=0, 1, 2) vibronic levels a non-Franck–Condon behaviour was observed.     

Measurement of iron characteristics under ramp compression

Laser-driven ramp compression was used to investigate iron characteristics along the isentropic path. The iterative Lagrangian analysis method was employed to analyze the free surface velocity profiles in iron stepped target measured with two VISARs. The onset stress for the α to ε phase transformation was determined from the sudden change in the sound velocity and was found over-pressurized compared to the static and shock results. The derived stress(26 GPa) and strain rate(up to 10~8 s~(-1)) are consistent with our previous experimental results. The stress-density relations were compared with those from previous ramp experiments and good agreements were found, which experimentally confirms the simulations,showing that iterative Lagrangian analysis can be applied to the ramp-compression data with weak shock.     

A path integral approach to electronic friction of a nanometer-sized tip scanning a metal surface

In this work, we study the dissipation mechanism and frictional force of a nanometer-sized tip scanning a metal surface via a path integral approach. The metal, with internal degrees of freedom (c, c^†) and a tip with an internal degree of freedom (d, d^†) couple with one another by means of an exchanged potential, V. Having integrated out all internal degrees of freedom, we obtain the in-out amplitude. Moreover, we calculate the imaginary part of the in-out amplitude and the frictional force. We find the imaginary part of the in-out amplitude to be positive, and correlated to the sliding velocity in most cases. The frictional force is proportional to the sliding velocity for the case where v < 0.01. However, for cases where v > 0.01, the frictional force demonstrates nonlinear dependence on sliding velocity.     

Coercivity analysis in R17Fe83−χBχ magnets

We studied the coercivity in magnets of composition R₁₇Fe_83−χB_χ (R = Nd, Pr and χ = 8, 30), using measurements of the coercive field H_c, its angular dependence, and the magnetic viscosity coefficient S_v, for temperatures between 4.2 and 500 K. The results are discussed in relation to a model which does not specifically consider the detailed mechanisms involved in magnetization reversal, but which provides information about the magnetic properties in the activation volume v where magnetization reversal is initiated. It is concluded that the ordering temperature in v tends to be slightly smaller than in the bulk and that the room temperature anisotropy in v is not strongly reduced with respect to the bulk value. Finally, a direct evaluation of the dipolar interactions is in good agreement with results obtained from H_c(T).     

The geometry of the SU(2) Kepler problem

The SU(2) Kepler problem is defined and analyzed, which is a Hamiltonian system reduced from the conformal Kepler problem on T^*( ⁸ − {0}) by the use of the symplectic SU(2) action lifted from the SU(2) left action on the SU(2) bundle ⁸ − {0} → ⁵ − {0}. This reduced system has a parameter μ ε su(2) coming from the value of the moment map associated with the symplectic SU(2) action. If μ ≠ 0, the phase space of this system have a bundle structure with base space T^*( ⁵ − {0}) and fibre S². The fibre, a (co)adjoint orbit through μ for SU(2), represents the internal degrees of freedom, called the isospin, of the particle of this system. The SU(2) Kepler problem with μ ≠ 0 is then interpreted as describing the motion of a classical particle with isospin in the Newtonian potential plus a specific repulsive potential together with a Yang-Mills field. This Yang-Mills field is to be referred to as BPST Yang's monopole field in ⁵ − {0};, since it becomes the Belavin-Polyakov-Schwartz-Tyupkin instanton, restricted on S⁴. If μ = 0, the SU(2) Kepler problem reduces to the ordinary Kepler problem. Like the ordinary Kepler problem, the Hamiltonian flows of the SU(2) Kepler problem of negative energy are all closed. It is shown in an explicit manner that the energy manifolds and isoenergetic orbit spaces for the SU(2) Kepler problem of negative energy are both homogeneous manifolds on which SU(4) acts transitively to the right; those homogeneous manifold are classified into two, according as the parameter μ is zero or not. For a certain value of μ, however, they contracts to the manifold which represents the set of all the equilibrium states. The isoenergetic orbit spaces are finally shown to be symplectomorphic to certain Kirillov-Konstant-Souriau coadjoint orbits for U(4), if μ is not the exceptional value mentioned above.     

An electrochemical investigation of Li intercalation in the sol-gel LiMn2O4 spinel oxide

An alternative approach for obtaining the LiMn₂O₄ spinel phase is provided by the use of the sol-gel method in aqueous solution. The main electrochemical properties of the sol-gel LiMn₂O₄ phase are reported. In addition to chronopotentiometric and voltammetric experiments, the kinetics of the electrochemical insertion–extraction of lithium in Li_xMn₂O₄ (0.25<x<1) has been investigated using ac impedance spectroscopy. The strong variation of the chemical diffusion coefficient D_Li vs x, in the range 10⁻⁸–10⁻¹¹ cm² s⁻¹ (D_Li is found to be maximum for x=0.55) is critically discussed.     

Ionic conductivity of crystalline and glassy Mg4.5Na7(P2O7)4

In our work single crystals of Mg_4.5Na₇(P₂O₇)₄ were prepared, pulverized, pressed into pellets and sintered in order to measure the electrical conductivity of polycrystalline specimens. The conductivity was also measured on glassy specimens obtained by the melting of previously prepared crystals. The electrical conductivities at 25°C with values of the order of 10⁻¹⁶ Ω⁻¹ cm⁻¹ for polycrystalline samples and a value of the order of 10⁻¹⁴ Ω⁻¹ cm⁻¹ for glass, show that the glassy phase of Mg_4.5Na₇(P₂ because of its greater molar volume and loosely packed structure, is a better matrix for ionic motion.     

Optoacoustic study of the infrared multiphoton excitation of ethylene

The optoacoustic effect was used to detect the infrared multiphoton excitation of ethylene as a function of laser wave length and laser energy fluence. The strong absorptions were observed at 949 cm⁻¹, 953 cm⁻¹ and 939 cm⁻¹. The dependence of the energy absorption on the laser energy fluence shows that the absorption at 949 cm⁻¹ is due to the resonance of the single quantum transition whereas the absorptions at 953 cm⁻¹ and 939 cm⁻¹ are due to the resonance of the double quantum transitions. The energy shift of the later transitions was explained in terms of Fermi resonance of the overtones of v₇ and v₈ modes. The onset of highly multiple quantum transitions were observed at high laser energy fluence.     

Study on the superconducting composite material formation in the system Bi2Sr2CaCu2O8+x/Al-containing phases

Phase evolution in the Bi---Sr---Ca---Cu---Al---O system was studied. Two Al-containing phases BiSr_1.5Ca_0.5Al₂O_z and (Sr_1−xCa_x)₃Al₂O₆ (x = 0.4 − 0.45) were determined to be chemically compatible with Bi_2.18Sr₂CaCu₂O_8+x (Bi-2212) at temperatures of the samples processing. The phase equilibria in the title system were investigated above the solidus temperature. The BiSr_1.5Ca_0.5Al₂O_z was found to be in equilibrium only with the melt and the (Sr_1−xCa_x)₃Al₂O₆ phase. This latter aluminate equilibrated with Ca,Sr cuprates, CaO, the Cu-free phase, and the liquid. The melting and solidification in Bi-2212, doped with the aluminate, corresponded to the reversible reaction Bi-2212 + BiSr_1.5Ca_0.5Al₂O_z ↔ (Sr_1−xCa_x)₃Al₂O₆ + liquid. Two sets of superconducting composite materials with initial compositions Bi-2212 + nBiSr_1.5Ca_0.5Al₂O_z and Bi-2212 + m(Sr_1−xCa_x)₃Al₂O₆ were prepared by solidification from the partial melt. The former material was composed mostly of large Bi-2212 lamellas separated by the BiSr_1.5Ca_0.5Al₂O_z phase, which destroyed superconducting links between Bi-2212 grains. The latter material consisted of a Bi-2212 polycrystalline matrix with high concentration of small (ca. 3 μm) grains of (Sr_1−xCa_x)₃Al₂O₆ imbedded in Bi-2212 lamellas. The Bi-2212 + m(Sr_1−xCa_x)₃Al₂O₆ materials displayed a trend to enhance flux pinning at T = 60 K with the increase of aluminate phase content.     

The Boltzmann equation for very hard particles

The nonlinear Boltzmann equation is solved analytically for general initial distributions in a (spatially homogeneous) system of very hard particles (VHP) with two translational degrees of freedom and with a transition probability for binary collisions (vw →v′w′) proportional to δ(v² + w² − v′² −w′²).

The scattering cross-section corresponding to this model increases as the square root of the collision energy (hence the name VHP-model). As the total energy of the system is finite, essentially no highly energetic particles are present to probe the unphysical high-energy behavior of the cross-section.

The VHP-model is extended to a multicomponent mixture of particles, and solved by the same technique, viz. Laplace transformation. An analogous discrete variable model is solved by a generating function method.

Finally the solutions of the nonlinear and linearized Boltzmann equation are compared. Their large-energy behavior at a fixed (large) time is different; their large-time behavior at a fixed energy is the same.     

Density of the superfluid fraction near the λ point in He---He mixtures by oscillating disk method

The critical exponents ζ(X) and amplitudes κ(X) of superfluid fraction _s/_λ in ³He---⁴He mixtures were determined by oscillating disk method approaching 10⁻⁴ K to lambda temperatures determined from velocity minima of first sound.     

Saturated absorption spectroscopy of buffer-gas-cooled Barium monofluoride molecules

We report an experimental investigation on the Doppler-free saturated absorption spectroscopy of buffer-gas-cooled Barium monofluoride (BaF) molecules in a 4 K cryogenic cell. The obtained spectra with a resolution of 19 MHz, much smaller than previously observed in absorption spectroscopy, clearly resolve the hyperfine transitions. Moreover, we use these high-resolution spectra to fit the hyperfine splittings of excited A(v = 0) state and find the hyperfine splitting of the laser-cooling-relevant A²Π_1/2(v = 0, J = 1/2,+) state is about 18 MHz, much higher than the previous theoretically predicted value. This provides important missing information for laser cooling of BaF molecules.     

Sound velocity measurements of nuclear-ordered solid 3He along the melting curve

We have measured the temperature dependence of the 10.98 MHz longitudinal sound velocity of solid 3He in the nuclear-ordered U2D2 phase and in the paramagnetic phase along the melting curve. The temperature dependence of the sound was attributed to the contributions from the nuclear spin system and the molar volume change along the melting curve. The sound velocity increased with temperature as T4 in the U2D2 phase and the sound anisotropy due to the exchange interaction was found to be about 10% among single-domain crystals investigated. The average value of the Gruneisen constant of the spin wave velocity in the ordered phase was gamma(c) = 16 and is compared to the calculated value of the multiple-exchange model.     

Influence of the velocity barrier on the massive Dirac electron transport in a monolayer MoS2 quantum structure

Using the transfer matrix method, spin- and valley-dependent electron transport properties modulated by the velocity barrier were studied in the normal/ferromagnetic/normal monolayer MoS₂ quantum structure. Based on Snell’s Law in optics, we define the velocity barrier as ξ=v₂/v₁ by changing the Fermi velocity of the intermediate ferromagnetic region to obtain a deflection condition during the electron transport process in the structure. The results show that both the magnitude and the direction of spin- and valley-dependent electron polarization can be regulated by the velocity barrier. –100% polarization of spin- and valley-dependent electron can be achieved for ξ>1, while 100% polarization can be obtained for ξ<1. Furthermore, it is determined that perfect spin and valley transport always occur at a large incident angle. In addition, the spin- and valley-dependent electron transport considerably depends on the length k_FL and the gate voltage U(x) of the intermediate ferromagnetic region. These findings provide an effective method for designing novel spin and valley electronic devices.