Comparing the band structure of Ag(1 1 1) monolayers on Ni(1 1 1) and Ni (0 0 1)

Ag(1 1 1) monolayers prepared on two substrates, Ni(1 1 1) and Ni(0 0 1), were studied with angle-resolved photoemission; their two-dimensional band dispersions were found to be identical within experimental uncertainties. Comparing the present results with those for Ag/Cu(0 0 1), the major difference is just a shift of 0.32 eV in all the binding energies. Thus the band topology of Ag overlayers in these systems is quite insensitive to the electronic and atomic structures of the substrates.     

Al(111)/Al_3Li(111)的界面性质

运用基于第一性原理的平面波贋势法,计算研究了Al (111)/Al_3Li (111)的界面性质.结果表明:Al (111)/Al_3Li (111)的界面具有三种原子配位关系结构,其中界面处仍保持与基体Al一致的三明治堆垛构型的界面稳定性最好.计算表明,该结构界面最薄弱层,位于Al_3Li (111)内,其分离功最小(约1.53 J/m~2),强度最弱,而基体Al和Al_3Li内部的强度随着到界面距离的增大而逐渐增强.     

Two-photon photoemission from Ni (1 1 0) and (1 1 1) surfaces

Photoemission was observed when the samples were irradiated with photons in the energy range from 2.5 to 3.3 eV from a tunable dye laser with an intensity of 10⁸Wcm^?2. The emission shows a quadratic intensity dependence. The variation with angle of incidence and polarization is different for the two surfaces. The result obtained from the (1 1 0) surface is discussed with help of the band structure as a two-photon surface photoelectric effect.     

Structure of the laser annealed Si(1 1 1)-(1 × 1) surface

LEED analysis of the laser annealed Si(1 1 1)-(1 × 1) surface shows that a model with a graphite-like top double layer of atoms with a spacing of 2.95±0.02 Å from the second double layer describes the LEED data as well as the Zehner model, but involves large displacements of the atoms normal to the surface as required by ion scattering results. It is suggested that this model provides a natural interpretation of the low energy He atom scattering data for the Si(1 1 1)-(7 × 7) surface.     

Contrasting ion neutralisation spectra of Ni(1 1 1) and W(1 1 0) surfaces

We present the results of an appropriate calculation of the ion neutralisation spectrum of W(1 1 0) exposed to a beam of very low energy He⁺ ions. The calculated spectrum shows considerable structure in contrast to the spectrum of Ni(1 1 1). It appears, therefore, that experimental data on W(1 1 0), presently non available, would be most useful in understanding the ion neutralisation process.     

Optical-Optical Double Resonance Spectroscopy of the H1(u)((3)P(1))-A(3)Pi(1u)-X(1)Sigma(+)(g) Transition of I(2)

We report the analysis of the H1(u)((3)P(1)) state of I(2) by optical-optical double resonance. This state lies in the second tier of ion-pair states and its observation was achieved by using the (1 + 2) photoexcitation sequence using the A(3)Pi(1u) state as an intermediate. The molecular parameters were obtained from data for 0 相似文献   

Theoretical Study of the Collision-Induced Double Transition CO(2) (nu(3) = 1) + N(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + N(2) (nu(1) = 0) at 296 K

A procedure is presented for the calculation of the double vibrational collision-induced absorption CO(2) (nu(3) = 1) + N(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + N(2) (nu(1) = 0) on the basis of quantum lineshapes computed using an isotropic potential and dipole-induced dipole functions. The linestrengths and energies of the vibration-rotation transitions are treated explicitly for N(2), utilizing the HITRAN database for CO(2). The theoretical absorption profile is compared to recent experimental results. By narrowing the width of the individual lines contributing to the overall absorption profile relative to their values determined for N(2)-N(2) collision-induced absorption, excellent agreement between theory and experiment is obtained. Copyright 2000 Academic Press.     

Discrete Dynamical Systems with W(A (1) m−1 × A (1) n−1) Symmetry

We give a birational realization of affine Weyl group of type A ⁽¹⁾ _m–1 × A ⁽¹⁾ _n–1. We apply this representation to construct some discrete integrable systems and discrete Painlevé equations. Our construction has a combinatorial counterpart through the ultra-discretization procedure.     

Experimental determination of the helium 2(3)P(1)-1(1)S0 transition rate

We present the first experimental determination of the 2(3)P(1)-1(1)S0 transition rate in helium and compare this measurement with theoretical quantum-electrodynamic predictions. The experiment exploits the very long (approximately 1 minute) confinement times obtained for atoms magneto-optically trapped in an apparatus used to create a Bose-Einstein condensate of metastable (2(3)S1) helium. The 2(3)P(1)-1(1)S0 transition rate is measured directly from the decay rate of the cold atomic cloud following 1083 nm laser excitation from the 2(3)S1 to the 2(3)P1 state, and from accurate knowledge of the 2(3)P1 population. The value obtained is 177+/-8 s(-1), which agrees very well with theoretical predictions, and has an accuracy that compares favorably with measurements for the same transition in heliumlike ions higher in the isoelectronic sequence.     

Beryllium overlayers on Mo(1 1 2) and Mo(0 1 1) surfaces

Low-energy electron diffraction, Auger electron spectroscopy and contact potential difference methods have been used to study formation of Be overlayers on the Mo(1 1 2) and (0 1 1) surfaces in the temperature range from T = 78 K up to the beginning of Be desorption. At a coverage θ = 1, where θ is defined as the ratio between concentrations of adatoms and surface substrate atoms, overlayers were found to be pseudomorphic on both the substrates. Various types of close-packed Be structures were observed at θ > 1. Annealing of the Mo samples covered with Be caused not only overlayer ordering, but also a partial solution of Be in the near-surface layer of Mo and creation of a surface alloy. It is inferred that the work function changes, positive on Mo(1 1 2) up to 0.4 eV and negative on Mo(0 1 1) down to ? 0.6 eV, are caused mainly by changes in surface roughness while the contribution of polarization of the BeMo adsorption bond seems to be only minor.     

The Perturbation between the G(1)Pi(g) and 2(1)Delta(g) States of (7)Li(2)

We have observed the rotational levels in the v = 2, 3, 5, 6, 7, and 8 vibrational manifolds of the 2(1)Delta(g) state of (7)Li(2) via the A(1)Sigma(+)(u) intermediate levels by DeltaLambda = 2 transitions. This violation of the DeltaLambda = 0, +/-1 selection rule is due to the interaction with the G(1)Pi(g) state. Band-by-band deperturbations of the G(1)Pi(g) approximately 2(1)Delta(g) (v(Pi), v(Delta)) = (11, 2), (12, 3), (15, 5), (16, 6), (18, 7), and (19, 8) bands have been performed. Deperturbed molecular constants and rotational-electronic interaction parameters are reported here. Copyright 2000 Academic Press.     

Comparison of the Si(111) (7 × 7) and (1×1)surfaces

High-resolution electron energy-loss spectroscopy and monochromatic low-energy electron diffraction have been applied to the study of the Si(111)(7 × 7) surface and the thermally-quenched Si(111) (1 × 1) surface. For the (1 × 1) surface, the inelastic continuum, observed for the (7 × 7) surface, due to the Drude absorption of electrons in the dangling-bond surface states is not existent, which indicates that the surface-state band associated with the dangling-bonds of the (1 × 1) surface is insulating. The observed electronic transitions indicate that the (7 × 7) and (1 × 1) surfaces have similar local band geometries and that they differ only in long-range order. The (1 × 1) surface is considered to have a disordered structure. The defect model is favored for the (7 × 7) structure.     

Ab Initio Investigation of the ellipsis pi(2)(g) (X(3)Sigma(-)(g), 1(1)Delta(g), 1(1)Sigma(+)(g)) Electronic States of NCN. Study of the Renner-Teller Effect in the 1(1)Delta(g) State

Large-scale CI calculations are carried out to obtain accurate potential energy surfaces for the ellipsis pi(2)(g) manifold (X(3)Sigma(-)(g), 1(1)Delta(g), 1(1)Sigma(+)(g)) of electronic states of NCN. Separation of the low-lying singlet states from the triplet ground state is computed in close agreement with the results of a recent photoelectron study by T. R. Taylor, R. T. Bise, K. R. Asmis, and D. M. Neumark [Chem. Phys. Lett. 301, 413-416 (1999)]. Vibronic coupling (Renner-Teller effect) in the 1(1)Delta(g) state is studied by means of a perturbative and a variational approach. Results of the present ab initio study confirm explicitly the rho(4) dependence postulated for the splitting of bending potential curves in Delta electronic states at small deviations from linearity. Copyright 2000 Academic Press.     

Nature of e(g) electron order in La(1-x)Sr(1+x)MnO(4)

X-ray scattering measurements of the low-temperature structure of La(1-x)Sr(1+x)MnO(4) ( 0.33< or =x< or =0.67) indicate the existence of three distinct regions: a disordered phase (x<0.4), a charge-ordered phase (x> or =0.5), and a mixed phase (0.4< or =x<0.5). For 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.     

Zn_（1－x）Mg_xS_ySe_（1－y）四元半导体合金的拉曼散射光谱研究

用分子束外延方法在ＧａＡｓ（１００）衬底上生长了Ｚｎ１－ｘＭｇｘＳｙＳｅ１－ｙ四元半导体合金薄膜．用Ｘ－射线衍射方法确定了外延层的结构和晶格常数．测量了这些样品在平行和垂直两种不同几何配置下的拉曼散射光谱并对其特性做了研究。从实验上观察到了四类不同的晶格振动模：类ＺｎＳｅ的ＴＯ和ＬＯ模以及类ＺｎＳ和类ＭｇＳ的ＬＯ模，实验发现：在ＺｎＳｅ和ＺｎＳＳｅ中加入Ｍｇ使得类ＺｎＳｅ的ＴＯ和ＬＯ模的振动频率下降；同时，也使类ＺｎＳ模的频率随Ｓ的增加率减小。     

T(1) fast acquisition relaxation mapping (T(1)-FARM): optimized data acquisition

A theoretical procedure for estimating the precision of the T(1) Fast Acquisition Relaxation Mapping sequence as a function of a number of acquisition parameters has been validated by both simulations and experimental results. These results have clarified the selection of sequence parameters to give optimal accuracy and precision in the R(1)* measurements. There is excellent agreement between theory, simulation, and experiment except for flip angles greater than 9 degrees, at which point slice profile imperfections significantly degrade the precision of the technique. The experimental results indicate that over a range of T(1)s that would be seen in a bolus tracking experiment (25-1200 ms), T(1) Fast Acquisition Relaxation Mapping can be used to obtain 64 x 128 R(1)* maps at a rate of 1 map/s, with a precision of 10% or better.     

Schottky barriers on diamond (1 1 1)

We have measured Schottky barrier heights Ø_B = 1.3 eV for Au and Ø_B = 1.5 eV for Al on (p-type) diamond(1 1 1)?(1 × 1) using photoelectron spectroscopy with synchroton radiation. These barrier heights yield a barrier index of S = 0.2, which is closer to the values for Si and Ge (S ～ 0.1) than to the value S = 0.4 calculated for jellium on an ideal diamond(1 1 1) surface. After reacting Al with the diamond surface by annealing to 800° C, we find that Ø_B decreases by 0.24 to 1.25 eV.