Methods for the measurement of (1)J(NCalpha) and (2)J(NCalpha) from a simplified 2D (13)C(alpha)-coupled (15)N SE-HSQC spectrum

Two methods for the measurement of (2)J(NCalpha) and (1)J(NCalpha) in (15)N/(13)C-labeled small and medium-size proteins are described. The current approach is based on simplified (13)C(alpha)-coupled (15)N HSQC spectra, where the two (2)J(NCalpha) doublets are separated into two subspectra corresponding to the alpha and beta spin states of the residue's own alpha carbon. The displacement of the two (2)J(NCalpha) doublets between the two subspectra provides an accurate value for (1)J(NCalpha). The alpha/beta filtration is achieved by taking the sum and difference of the recorded complementary in-phase and antiphase J-coupled spectra. J-multiplication is utilized in one of the proposed methods. In this method, an additional coupling evolution period, which is incremented in concert with t(1), is included in the pulse sequence making it possible to scale the peak-to-peak separation.     

Multiple magnetic transitions in single crystals of Ce_(12)Fe_(57.5)As_(41) and La_(12)Fe_(57.5)As_(41)

Measurements of magnetic and transport properties were performed on needle-shaped single crystals of Ce_(12)Fe_(57.5)As_(41)and La_(12)Fe_(57.5)As_(41).The availability of a complete set of data enabled a side-by-side comparison between these two rare earth compounds.Both compounds exhibited multiple magnetic orders within 2-300 K and metamagnetic transitions at various fields.Ferromagnetic transitions with Curie temperatures of 100 and 125 K were found for Ce_(12)Fe_(57.5)As_(41)and La_(12)Fe_(57.5)As_(41),respectively,followed by antiferromagnetic type spin reorientations near Curie temperatures.The magnetic properties underwent complex evolution in the magnetic field for both compounds.An antiferromagnetic phase transition at about 60 K and 0.2 T was observed merely for Ce_(12)Fe_(57.5)As_(41).The field-induced magnetic phase transition occurred from antiferromagnetic to ferromagnetic structure.A strong magnetocrystalline anisotropy was evident from magnetization measurements of Ce_(12)Fe_(57.5)As_(41).A temperature-field phase diagram was present for these two rare earth systems.In addition,a logarithmic temperature dependence of electrical resistivity was observed in the two compounds within a large temperature range of 150-300 K,which is rarely found in 3D-based compounds.It may be related to Kondo scattering described by independent localized Fe 3d moments interacting with conduction electrons.     

Superconductivity in Restricted Chromo-Dynamics (RCD) in SU(2) and SU(3) Gauge Theories

Characterizing the dyonically condensed vacuum by the presence of two massive modes (one determining how fast the perturbative vacuum around a colour source reaches the condensation and the other giving the penetration length of colored flux) in SU(2) theory, it has been shown that due to the dynamical breaking of magnetic symmetry the vacuum of RCD acquires the properties similar to those of relativistic superconductor. Analysing the behaviour of dyons around RCD string, the solutions of classical field equations have been obtained and it has been shown that magnetic constituent of dyonic current is zero at centre of the string and also at the points far away from the string. Extending RCD in the realistic color gauge group SU(3), it has been shown that the resulting Lagrangian leads to dyonic condensation, color confinement and the superconductivity with the presence of two scalar modes and two vector modes.     

Fe1.01Se0.4Te0.6单晶的超导电性研究

本文采用自助溶剂法生长得到Fe1.01Se0.4Te0.6单晶样品,超导零电阻温度Tczero=11.0 K,部分样品经400℃进行48小时退火之后,超导零电阻温度变为Tczero=7.0K.分析表明退火后样品的Fe含量变大,超导电性被部分抑制.通过磁场下电阻率-温度曲线的实验测量,用WHH(Werthamer-Helfand-Hohenberg)方法估算得到退火前后样品在0K附近的上临界场分别为83.2T和61.3T.上临界场μ0Hc2(T)随温度变化曲线在0T附近向高温方向上翘,说明样品具有"二流体"行为.直流磁化曲线在40K和120K分别出现向下弯曲,40K处的变化可能对应于过量Fe的自旋冻结.应变测量结果显示样品在117K时应变值发生一个突变,变化量约为晶格参数的0.06%,显示样品发生一个结构相变.因此,120K处的磁化下降对应于样品从四方相到正交相的结构转变.     

Farbzentrenassoziate mit (100)-Symmetrie (A und B-Zentren)

By light absorption in additively colored KCl A-centers can be developped under certain conditions. Irradiation with (100) polarized F-light produces a reorientation of these centers, which is observed by a characteristic dichroic absorption. From these measurements the symmetry and the two optical transitions A₁ und A₂of the A-center are derived. Experiments with Na-doped crystals suggest as a model for the A-centeran F-center assoziated to a single Na ⁺ ion in the KCl lattice. From A-centers a new center can optically be developped, which has again (100) symmetry and two optical transitions. This ?B-center“ is interpreted as the assoziation oftwo F-Centers to a Na ⁺ion in KCl.     

First Observation of the nu(17)-nu(4) Difference Bands of Diborane (10)B(2)H(6) and (11)B(2)H(6)

An analysis of the nu(17)-nu(4) difference bands near 800 cm(-1) of two isotopic species, (10)B(2)H(6) and (11)B(2)H(6), of diborane has been carried out using infrared spectra recorded with a resolution of ca. 0.003 cm(-1). In addition, the nu(17) band of (10)B(2)H(6) has been recorded and assigned. Since this band in (11)B(2)H(6) had already been studied (R. L. Sams, T. A. Blake, S. W. Sharpe, J.-M. Flaud, and W. J. Lafferty, J. Mol. Spectrosc. 191, 331-342 (1998)), it was possible to derive precise energy levels and Hamiltonian constants for the 4(1) vibrational states of both isotopic species. Copyright 2000 Academic Press.     

The hidden SO(4) symmetry of general SU(2) thirring models

General four-fermion interactions in two dimensions with SU(2) invariance are shown to possess a hidden SO(4) symmetry. As a consequence physical states belong to irreducible representations of the two commuting O(3) subgroups and their interactions decouple accordingly. Two independnet stable trajectories of the renormalization group are shown to exist perturbatively and are consistently reproduced by abelian bosonization.     

CuPc/ITO结构的表面和界面电子态的XPS研究

覆盖有Indium tin oxide(ITO)膜的透明导电玻璃广泛地用作有机发光器件 (OLEDs)的空穴注入电极 ,但是ITO膜的功函数通常与空穴传输材料的最高被占据分子轨道 (HOMO)不匹配。铜酞菁 (CuPc)作为缓冲层可以提高空穴从ITO向空穴传输材料的注入效率。对CuPc ITO样品的XPS表面分析表明 ,在CuPc分子中 ,铜原子显 2价 ,通过配位键和氮原子相互作用。CuPc分子中有两类碳原子 :8个C原子与 2个N原子成键 ;其余 2 4个C原子具有芳香烃性质。N原子也处在两种化学环境中 :有 4个N原子只与 2个C原子形成CNC键 ;另外 4个N原子不仅与 2个C原子成键 ,还通过配位键与Cu原子成键。用氩离子束对样品表面进行了溅射剥蚀 ,当溅射时间分别为 2 ,5 ,10min时进行XPS采谱分析 ,结果表明 ,随着氩离子束溅射时间增长 ,C 1s,N 1s峰变弱 ,Cu 2p ,O 1s,In 3d,Sn 3d峰增强 ,C 1s,N 1s,O 1s,In 3d和Sn 3d峰都向高束缚能或低束缚能方向移动 ,但它们的情况却不相同。     

Periodic oscillations of Josephson-vortex flow resistance in Bi(2)Sr(2)CaCu(2)O(8+y)

To study the Josephson-vortex system, we have measured the vortex-flow resistance as a function of magnetic field parallel to the ab plane in Bi(2)Sr(2)CaCu(2)O(8+y) single crystals. Novel periodic oscillations of the vortex-flow resistance have been observed in a wide range of temperatures and magnetic fields. The period of the oscillations corresponds to the field needed to add "one" vortex quantum per "two" intrinsic Josephson junctions. The flow velocity is related to a matching effect between the lattice spacing of Josephson vortices along the layers and the width of the sample. These results suggest that Josephson vortices form a triangular lattice in the ground state where the oscillations occur.     

Lithium ionic jump motion in the fast solid ion conductor Li(5)La(3)Nb(2)O(12)

Using (7)Li NMR line-shape analysis, spin-lattice relaxation measurements and stimulated-echo spectroscopy, we investigate the lithium ionic jump motion in the garnet Li(5)La(3)Nb(2)O(12). Results for two samples are compared, which were annealed at 850( composite function)C (GR-850) and at 900( composite function)C (GR-900), respectively. All (7)Li NMR data consistently show that two lithium species with distinguishable dynamical behaviors coexist in each of the samples. While the less mobile species is the majority component in GR-850, the more mobile species is the majority component in GR-900. (7)Li NMR stimulated-echo spectroscopy provides straightforward access to the correlation functions describing the jumps of the respective majority component in both samples. From the temperature-dependent correlation times, we obtain activation energies of 56 and 32kJmol(-1) for GR-850 and GR-900, respectively. For both samples, the correlation functions substantially deviate from simple exponential behavior, indicating a high complexity of the lithium ionic motion in Li(5)La(3)Nb(2)O(12).     

Theory of ferromagnetism in Ca(1-x)La(x)B(6)

Novel ferromagnetism in Ca(1-x)La(x)B(6) is studied in terms of the Ginzburg-Landau theory for excitonic-order parameters, taking into account symmetry of the wave functions. We found that the minima of the free energy break both inversion and time-reversal symmetries, while the product of these two remains preserved. This explains various novelties of the ferromagnetism and predicts a number of magnetic properties, including the magnetoelectric effect, which can be tested experimentally.     

Quantum diffusion in polaron model of poly(dG)-poly(dC) and poly(dA)-poly(dT) DNA polymers

We numerically investigate quantum diffusion of an electron in a model of poly(dG)-poly(dC) and poly(dA)-poly(dT) DNA polymers with fluctuation of the parameters due to the impact of colored noise. The randomness is introduced by fluctuations of distance between two consecutive bases along the stacked base pairs. We demonstrate that in the model the decay time of the correlation can control the spread of the electronic wavepacket. Furthermore it is shown that in a motional narrowing regime the averaging over fluctuation causes ballistic propagation of the wavepacket, and in the adiabatic regime the electronic states are affected by localization.     

Cosine modulated HSQC: a rapid determination of (3)J(HNHalpha) scalar couplings in (15)N-labeled proteins

A two-dimensional HSQC-based NMR method, (15)N-COSMO-HSQC, is presented for the rapid determination of homonuclear (3)J(HNHalpha) couplings in (15)N-labeled proteins in solution. Scalar couplings are extracted by comparing the intensity of two separate datasets recorded with and without decoupling of the (3)J(HNHalpha) during a preparation period. The scalar couplings are introduced through a cosine modulation of the peak intensities. The experiment relies on a BIRD sandwich to selectively invert all amide protons H(N) and is very simple to implement. (3)J(HNHalpha) couplings were determined using both the (15)N-COSMO-HSQC and quantitative-J on (15)N-labeled chemokine RANTES. The two experiments show well-correlated values.     

51V-NMR and (51)T(1)(T) of charge ordering and spin gap in alpha'-NaV(2)O(5)

We report the interpretation of the first (51)V data on the low-temperature phase of alpha'-NaV(2)O(5) which presents more than two vanadium valences and compare the data to structural models. The influence of the dependence of the line positions on very small amounts of Na substitution by Ca and Li is reported and discussed. The doping and orientation dependence of the spin gap as seen by (51)T(1) is documented, the evidence points towards a significant anisotropy in the nature of the gap which is sensitive to doping.     

奇异点展开法（SEM）与共振散射理论（RST）之间的联系

近年来,在声散射问题中提出了两种理论:奇异点展开法(SEM)和共振散射理论(RST)。本文建立这两种理论之间的联系,以水中弹性柱和球的散射为例,我们证明RST可以直接从SEM导出,因此两者是等价的。首先从总散射波中分离出刚性背景,然后应用Mittag-Leffler定理将纯弹性散射波展开成严格共振公式。我们特别证明,对于大多数水中实弹性体,再辐射效率和共振宽度近似地正比于相应极点的虚部,这说明共振散射特性可以整个地由复频率极点确定。因此,目前的分析允许对RST有更深的理解。对于水中铝柱和钨碳球的情况,我们用新的共振公式计算了分波形态函数,其结果与严格计算符合良好。     

Absolute Intensities Measurements in the nu(4) + nu(5) Band of (12)C(2)H(2): Analysis of Herman-Wallis Effects and Forbidden Transitions

We measured absolute line intensities in two bands of (12)C(2)H(2) near 7.5 μm, namely the nu(4) + nu(5)(Sigma(+)(u))-0(Sigma(+)(g)) and nu(4) + nu(5)(Delta(u))-0(Sigma(+)(g)) bands, using Fourier transform spectroscopy with an accuracy estimated to be better than 2%. Using theoretical predictions from Watson [J. K. G. Watson, J. Mol. Spectrosc. 188, 78 (1998)], the observation of the forbidden nu(4) + nu(5)(Delta(u))-0(Sigma(+)(g)) band and the Herman-Wallis behavior exhibited by its rotational lines were studied quantitatively in terms of two types of interactions affecting the levels involved by the band: l-type resonance and Coriolis interaction. In the case of the nu(4) + nu(5)(Sigma(+)(u))-0(Sigma(+)(g)) band, the influence of l-type resonance is also confirmed. We also attributed the intensity asymmetry observed between the R and P branches of that latter band to a Coriolis interaction with l = 1 levels. We did not observe the nu(4) + nu(5)(Sigma(-)(u))-0(Sigma(+)(g)) band, consisting only of a Q branch, in agreement with Watson's prediction. Copyright 2000 Academic Press.     

Magnetic and structural properties of Fe(110)/Ag(111) and Fe(100)/Ag(100) multilayers

A comparison of the magnetic and structural properties and growth characteristics between Fe(110)/Ag(111) and Fe(100)/Ag(100) multilayers is presented. The two types of multilayers were made of the same constituent materials but with different oricutations, allowing us to examine the interesting interplay between structure and magnetism. We found fundamentally different magnetic properties including magnetocrystalline anisotropy and surface/interface and thin film magnetism for the two types of multilayers, and their origins were discussed. Presently at the Naval Research Laboratory. Presently at Argonne National Laboratory.     

White light electroluminescence from poly(9-vinylcarbazole) (PVK)/ZnO NRs/poly(2-methoxy-5-(2-ethylhexyloxy)-1, 4-phenylenevinylene) (MEH-PPV) dual heterojunctions

In this paper, we fabricated a p-PVK/n-ZnO nanorods (NRs)/p-MEH-PPV dual heterojunctions white light-emitting diode. Relative to previously reported p–n heterojunction structure including ZnO NRs and polymer, the device exhibits a low turn-on voltage of 7 V. An obviously broad electroluminescence emission band, originated from the overlap of PVK emission and ZnO defects emissions, was observed extending from 360 up to 700 nm. The influence of the two introduced p-type polymer layers on the device characteristic is discussed. With its hole conductivity, the p-PVK layer cannot only improve the holes tunnel into ZnO NRs layer, but also lower the barrier between ITO and the valance band of ZnO NRs. On the other hand, p-MEH-PPV could be regarded as block layer for the injection of electrons from the Al electrode. Both of two p-type polymers dramatically improve the injection balance of carriers, leading to a low turn-on voltage. Meanwhile, the carrier transport mechanism of the device under different forward bias region was discussed on the basis of current–voltage curve.     

Metal-to-insulator crossover in the low-temperature normal state of Bi(2)Sr(2-x)La(x)CuO(6+delta)

We measure the normal-state in-plane resistivity of Bi(2)Sr(2-x)La(x)CuO(6+delta) single crystals at low temperatures by suppressing superconductivity with 60 T pulsed magnetic fields. With decreasing hole doping, we observe a crossover from a metallic to an insulating behavior in the low-temperature normal state. This crossover is estimated to occur near 1/8 doping, well inside the underdoped regime, and not at optimum doping as reported for other cuprates. The insulating regime is marked by a logarithmic temperature dependence of the resistivity over two decades of temperature, suggesting that a peculiar charge localization is common to the cuprates.     

The nu(2), nu(4) + nu(5), nu(6) + nu(9), and nu(8) Band System in 1,1,1-Trifluoroethane

High-resolution FTIR spectra of 1,1,1-trifluoroethane (HFC-143a) have been recorded in the region from 1370 to 1470 cm(-1) with an unapodized resolution of 0.0016 cm(-1) at room temperature and of 0.004 cm(-1) at 183 and 100 K. The two main infrared active bands of A(1) symmetry have been shown to be nu(2) at 1407.5 cm(-1) and nu(4) + nu(5) at 1440.5 cm(-1). With the aid of Raman spectra, the two infrared inactive bands of E symmetry in this spectra region have been shown to be nu(8) at 1457.5 cm(-1) and nu(6) + nu(9) at 1446.2 cm(-1). The nu(2) band was analyzed as an isolated band, whereas the nu(4) + nu(5) band was analyzed as part of the triad nu(4) + nu(5), nu(6) + nu(9), and nu(8). Copyright 2000 Academic Press.