The structure of the high-energy spin excitations in a high-transition-temperature superconductor

In conventional superconductors, lattice vibrations (phonons) mediate the attraction between electrons that is responsible for superconductivity. The high transition temperatures (high-T(c)) of the copper oxide superconductors has led to collective spin excitations being proposed as the mediating excitations in these materials. The mediating excitations must be strongly coupled to the conduction electrons, have energy greater than the pairing energy, and be present at T(c). The most obvious feature in the magnetic excitations of high-T(c) superconductors such as YBa2Cu3O6+x is the so-called 'resonance'. Although the resonance may be strongly coupled to the superconductivity, it is unlikely to be the main cause, because it has not been found in the La2-x(Ba,Sr)(x)CuO4 family and is not universally present in Bi2Sr2CaCu2O8+delta (ref. 9). Here we use inelastic neutron scattering to characterize possible mediating excitations at higher energies in YBa2Cu3O6.6. We observe a square-shaped continuum of excitations peaked at incommensurate positions. These excitations have energies greater than the superconducting pairing energy, are present at T(c), and have spectral weight far exceeding that of the 'resonance'. The discovery of similar excitations in La2-xBa(x)CuO4 (ref. 10) suggests that they are a general property of the copper oxides, and a candidate for mediating the electron pairing.     

Some observables as an indication of atomic nuclear shape phase transition

Using interacting boson model, shape phase transitions from U（5） to 0（6） and from U（5） to SU（3） are studied in the space of two control parameters. Some simple shape phase diagrams in terms of the order parameter and one of the control parameters are presented. Spectra and E2 transition rates are used to construct observables. It is shown that these observables exhibit the behavior of the shape phase transition, namely a peak structure at and after the critical point.     

A thermodynamic connection to the fragility of glass-forming liquids

Although liquids normally crystallize on cooling, there are members of all liquid types (including molecular, ionic and metallic) that supercool and then solidify at their glass transition temperature, Tg. This continuous solidification process exhibits great diversity within each class of liquid-both in the steepness of the viscosity-temperature profile, and in the rate at which the excess entropy of the liquid over the crystalline phase changes as Tg is approached. However, the source of the diversity is unknown. The viscosity and associated relaxation time behaviour have been classified between 'strong' and 'fragile' extremes, using Tg as a scaling parameter, but attempts to correlate such kinetic properties with the thermodynamic behaviour have been controversial. Here we show that the kinetic fragility can be correlated with a scaled quantity representing excess entropy, using data over the entire fragility range and embracing liquids of all classes. The excess entropy used in our correlation contains both configurational and vibration-related contributions. In order to reconcile our correlation with existing theory and simulations, we propose that variations in the fragility of liquids originate in differences between their vibrational heat capacities, harmonic and anharmonic, which we interpret in terms of an energy landscape. The differences evidently relate to behaviour of low-energy modes near and below the boson peak.     

First-order transition in confined water between high-density liquid and low-density amorphous phases

Supercooled water and amorphous ice have a rich metastable phase behaviour. In addition to transitions between high- and low-density amorphous solids, and between high- and low-density liquids, a fragile-to-strong liquid transition has recently been proposed, and supported by evidence from the behaviour of deeply supercooled bilayer water confined in hydrophilic slit pores. Here we report evidence from molecular dynamics simulations for another type of first-order phase transition--a liquid-to-bilayer amorphous transition--above the freezing temperature of bulk water at atmospheric pressure. This transition occurs only when water is confined in a hydrophobic slit pore with a width of less than one nanometre. On cooling, the confined water, which has an imperfect random hydrogen-bonded network, transforms into a bilayer amorphous phase with a perfect network (owing to the formation of various hydrogen-bonded polygons) but no long-range order. The transition shares some characteristics with those observed in tetrahedrally coordinated substances such as liquid silicon, liquid carbon and liquid phosphorus.     

High-transition-temperature superconductivity in the absence of the magnetic-resonance mode

The fundamental mechanism that gives rise to high-transition-temperature (high-T(c)) superconductivity in the copper oxide materials has been debated since the discovery of the phenomenon. Recent work has focused on a sharp 'kink' in the kinetic energy spectra of the electrons as a possible signature of the force that creates the superconducting state. The kink has been related to a magnetic resonance and also to phonons. Here we report that infrared spectra of Bi2Sr2CaCu2O8+delta (Bi-2212), shows that this sharp feature can be separated from a broad background and, interestingly, weakens with doping before disappearing completely at a critical doping level of 0.23 holes per copper atom. Superconductivity is still strong in terms of the transition temperature at this doping (T(c) approximately 55 K), so our results rule out both the magnetic resonance peak and phonons as the principal cause of high-T(c) superconductivity. The broad background, on the other hand, is a universal property of the copper-oxygen plane and provides a good candidate signature of the 'glue' that binds the electrons.     

Raman spectra of nitrogen-doped tetrahedral amorphous carbon from first principles

The non-resonant vibrational Raman spectra of nitrogen-doped tetrahedral amorphous carbon have been calculated from first principles, including the generation of a structural model, and the calculation of vibrational frequencies, vibrational eigenmodes and Raman coupling tensors. The calculated Raman spectra are in good agreement with the experimental results. The broad band at around 500 cm^-1 arises from mixed bonds. The T peak originates from the vibrations of sp^3 carbon and the G peak comes from the stretching vibrations of sp^2-type bonding of C=C and C=N. The simulation results indicate the direct contribution of N vibrations to Raman spectra.     

微观相互作用玻色子模型中热166,168,170Er核比热容及其相变的数值研究

应用微观相互作用玻色子模型，制备了偶166，168，170Er同位素的零温能谱，其值与最新的实验结果符合得比较好；采用正则系综理论，计算出核的有限温度比热容，基地比热峰是相变信号和对序参量的分析，有可能统一描述核发生的热激发模式相变，核形状相变和从超流相到正常相相变。     

环境随机激励下在役石油钻机井架试验模态参数识别

针对钻机井架的结构形式和作业特点,详细讨论了模态测试中若干试验参数,如激励方式、传感器位置以及频率分辨率等,提出了基于环境随机激励的钻机井架结构试验模态识别的一种有效方法.根据激振形式,推导了模态参数识别公式,依据结构响应的自功率谱识别井架的模态频率,依据互谱与自谱的峰值之比近似地识别模态振型.针对海洋和陆地钻机两种井架形式进行分析.该方法处理简单、快速、实用,适用于大型复杂钢构结构,具有一定的工程应用价值.     

Control of the electronic phase of a manganite by mode-selective vibrational excitation

Controlling a phase of matter by coherently manipulating specific vibrational modes has long been an attractive (yet elusive) goal for ultrafast science. Solids with strongly correlated electrons, in which even subtle crystallographic distortions can result in colossal changes of the electronic and magnetic properties, could be directed between competing phases by such selective vibrational excitation. In this way, the dynamics of the electronic ground state of the system become accessible, and new insight into the underlying physics might be gained. Here we report the ultrafast switching of the electronic phase of a magnetoresistive manganite via direct excitation of a phonon mode at 71 meV (17 THz). A prompt, five-order-of-magnitude drop in resistivity is observed, associated with a non-equilibrium transition from the stable insulating phase to a metastable metallic phase. In contrast with light-induced and current-driven phase transitions, the vibrationally driven bandgap collapse observed here is not related to hot-carrier injection and is uniquely attributed to a large-amplitude Mn-O distortion. This corresponds to a perturbation of the perovskite-structure tolerance factor, which in turn controls the electronic bandwidth via inter-site orbital overlap. Phase control by coherent manipulation of selected metal-oxygen phonons should find extensive application in other complex solids--notably in copper oxide superconductors, in which the role of Cu-O vibrations on the electronic properties is currently controversial.     

A distinct bosonic mode in an electron-doped high-transition-temperature superconductor

Despite recent advances in understanding high-transition-temperature (high-T(c)) superconductors, there is no consensus on the origin of the superconducting 'glue': that is, the mediator that binds electrons into superconducting pairs. The main contenders are lattice vibrations (phonons) and spin-excitations, with the additional possibility of pairing without mediators. In conventional superconductors, phonon-mediated pairing was unequivocally established by data from tunnelling experiments. Proponents of phonons as the high-T(c) glue were therefore encouraged by the recent scanning tunnelling microscopy experiments on hole-doped Bi2Sr2CaCu2O8-delta (BSCCO) that reveal an oxygen lattice vibrational mode whose energy is anticorrelated with the superconducting gap energy scale. Here we report high-resolution scanning tunnelling microscopy measurements of the electron-doped high-T(c) superconductor Pr0.88LaCe0.12CuO4 (PLCCO) (T(c) = 24 K) that reveal a bosonic excitation (mode) at energies of 10.5 +/- 2.5 meV. This energy is consistent with both spin-excitations in PLCCO measured by inelastic neutron scattering (resonance mode) and a low-energy acoustic phonon mode, but differs substantially from the oxygen vibrational mode identified in BSCCO. Our analysis of the variation of the local mode energy and intensity with the local gap energy scale indicates an electronic origin of the mode consistent with spin-excitations rather than phonons.     

2-氨基乙醇振动频率及碱度的理论研究

运用B3LYP方法在6-311＋G（d,p）水平上对气相、水及四氯化碳溶液中2-氨基乙醇的构型稳定性、分子内氢键强度、振动频率及气相碱度进行了研究。计算结果表明,在气相中g′Gg′构型因具有分子内氢键而成为最稳定的构型。水溶液中2-氨基乙醇构型的稳定性决定于分子内氢键和羟基基团分子间溶剂化的综合作用。通过对振动模式的分析,表明随着构型能量的增加,各构型中C-O-H键弯曲和C-O键振动频率均蓝移,而O-H键振动频率红移;四氯化碳溶液中的振动频率和实验结果一致,计算结果表明G型2-氨基乙醇的气相碱度比T型的大。     

Interplay of electron-lattice interactions and superconductivity in superconductivity in Bi2Sr2CaCu2O8+delta

Formation of electron pairs is essential to superconductivity. For conventional superconductors, tunnelling spectroscopy has established that pairing is mediated by bosonic modes (phonons); a peak in the second derivative of tunnel current d2I/dV2 corresponds to each phonon mode. For high-transition-temperature (high-T(c)) superconductivity, however, no boson mediating electron pairing has been identified. One explanation could be that electron pair formation and related electron-boson interactions are heterogeneous at the atomic scale and therefore challenging to characterize. However, with the latest advances in d2I/dV2 spectroscopy using scanning tunnelling microscopy, it has become possible to study bosonic modes directly at the atomic scale. Here we report d2I/dV2 imaging studies of the high-T(c) superconductor Bi2Sr2CaCu2O8+delta. We find intense disorder of electron-boson interaction energies at the nanometre scale, along with the expected modulations in d2I/dV2 (refs 9, 10). Changing the density of holes has minimal effects on both the average mode energies and the modulations, indicating that the bosonic modes are unrelated to electronic or magnetic structure. Instead, the modes appear to be local lattice vibrations, as substitution of 18O for 16O throughout the material reduces the average mode energy by approximately 6 per cent--the expected effect of this isotope substitution on lattice vibration frequencies. Significantly, the mode energies are always spatially anticorrelated with the superconducting pairing-gap energies, suggesting an interplay between these lattice vibration modes and the superconductivity.     

Cu-Al-Ni-Mn-Ti合金在不完全相变过程中的内耗行为研究

文章采用不完全相变内耗(IF)测量法研究了Cu-Al-Ni-Mn-Ti多晶形状记忆合金在热弹性马氏体相变时内耗峰与外界变量(频率、升温速率及不完全相变开始测量温度Ts)的依赖关系。实验结果表明,测量频率小于0.045Hz时,内耗峰分解成双峰(低温PL峰和高温PH峰),随Ts的降低,双峰逐渐合并;PL峰值与频率对数呈现峰形函数关系,随升温速率的增加,PL峰向高频方向移动,相变弛豫时间减小;PH峰值与频率倒数成线性关系,随升温速率的增加,线性斜率变大。     

HCl分子在激光场中的多光子激发

用二次量子化方法讨论了ＨＣｌ分子在激光场中的多光子激发，这包括对ＨＣｌ分子伸缩振动能级的计算，跃迁概率随外场频率的变化及随时间的变化（取光场强度１０－８Ｗ／ｃｍ２）．     

柔性节点预制混凝土结构的动力反应

采用端部带转动弹簧的梁单元力学模型,对柔性节点预制混凝土框架结构的动力学特性及其在地震作用下的动力反应规律进行了系统研究.结果表明:结构自振频率随着节点相对刚度比的增加不断增大,当节点相对刚度比在0.1～10之间变化时,结构自振频率的变化十分明显.结构峰值位移反应随着节点相对刚度比的增加呈总体下降趋势,但下降趋势和程度受输入地震波能量分布特征的影响,并可能局部增大.随着节点相对刚度比的增加,结构在地震作用下的峰值加速度反应受输入地震波能量分布特征的控制,分布规律非常复杂.在工程中,应根据结构可能遭受的地震作用的能量分布特征,通过结构动力分析,确定节点的最优相对刚度比,以减小结构的动力反应.     

镱同位素的能谱和电磁跃迁

采用玻色子展开技术研究了比铪更轻的镱核,计算了其6个同位素的能谱和3个核的电磁跃迁概率B(E2).大量的实验数据可以用几个可调参数来拟合,其理论值和实验值的均方根差最大为514keV,最小为60keV.电磁跃迁概率对波函数的依赖关系比能谱对波函数的依赖关系更密切,对理论的检验也更严格.研究结果表明:B(E2)理论值和实验值的最大相对误差只有10%;可将玻色子展开技术应用于更大范围的核谱,且能够反映跃迁概率随能级复杂变化的情况.     

高分辨率电子能量损失谱在半导体表面研究中的应用

低能电子与半导体表面的相互作用能激发带间电子跃迁和（或）表面振动,因而对背散射电子能量分布的高分辨率测量可望给出与这些激发相关的丰富信息,近年来的实验研究证实,进行这样的电子能量损失测量确能从各种不同半导体得到的诸发禁带宽度,表面电子态的能量,表面光学声子的特性,表面原子的成键方式,表面反应的产物等许多有关表面原子和电子结构的重要参数。     

Electrical generation and absorption of phonons in carbon nanotubes

The interplay between discrete vibrational and electronic degrees of freedom directly influences the chemical and physical properties of molecular systems. This coupling is typically studied through optical methods such as fluorescence, absorption and Raman spectroscopy. Molecular electronic devices provide new opportunities for exploring vibration-electronic interactions at the single molecule level. For example, electrons injected from a scanning tunnelling microscope tip into a metal can excite vibrational excitations of a molecule situated in the gap between tip and metal. Here we show how current directly injected into a freely suspended individual single-wall carbon nanotube can be used to excite, detect and control a specific vibrational mode of the molecule. Electrons tunnelling inelastically into the nanotube cause a non-equilibrium occupation of the radial breathing mode, leading to both stimulated emission and absorption of phonons by successive electron tunnelling events. We exploit this effect to measure a phonon lifetime of the order of 10 ns, corresponding to a quality factor of well over 10,000 for this nanomechanical oscillator.     

Effect of Cu on dehydrogenation and thermal stability of amorphous Mg-Ce-Ni-Cu alloys

The alloying element component is very crucial in improving the hydrogen storage performance of amorphous alloys.In this work,quaternary amorphous Mg_(70-x)Ce_(10)Ni_(20)Cu_x(x=3,7.5,10)alloys were prepared by meltspinning and the effect of Cu on hydrogenation and dehydrogenation were investigated in comparison with the Mg_(70-x)Ce_(10)Ni_(20)amorphous alloys.The initial hydrogenation kinetics of amorphous Mg_(70-x)Ce_(10)Ni_(20)Cu_x(x=0,3,7.5,10)was improved with the increase of Cu content according to the kinetics measured at a temperature below crystallization temperature.As hydrogen is absorbed,an amorphous-amorphous transition occurred,and relatively high Cu content would lead to phase separation in the hydrogenation process.Amorphous phase have much higher crystallization temperature after it absorbs hydrogen and the addition of Cu could increase the crystallization activation energy of amorphous hydrides.In addition,the increase of Cu content could reduce the dehydrogenation temperature of amorphous hydrides,which gives a significant indication for future improving research of the hydrogen desorption performance of Mg based amorphous hydrides.     

二氟卡宾与苯环加成反应机理的量化研究

用限制的Hartree-Fock从头算分子轨道理论研究单重态二氟卡宾与苯的环加成反应机理,采用HF/3-21G*方法计算势能面上各驻点的构型参数、振动频率和能量。结果表明该反应途径由2步组成:①两反应物(R1 R2)首先生成一复合物(CM),它是一无势垒的放热反应,放出的能量为6.35 kJ/mol;②复合物(CM)经过渡态(TS)异构化为产物(P),其势垒为199.90 kJ/mol。