Experimental quest for orbital waves

One challenge in condensed-matter physics is the experimental confirmation of a new kind of elementary excitation orbital waves, or orbitons, which are predicted to exist in an orbitally ordered state. Saitoh et al. have observed three peaks at 160, 144 and 126 meV in the Raman scattering of orbitally ordered lanthanum manganate (LaMnO(3)), and interpret these as evidence of orbitons. However, we find similar peaks in the optical conductivity, sigma(omega), of LaMnO(3) and point out that the direct observation of orbitons in sigma(omega) is prohibited by a selection rule. This suggests that the Raman peaks observed by Saitoh et al. arise from multiphonons, and that the existence of orbitons has yet to be experimentally confirmed.     

超导材料的超快光谱研究

电子、晶格、自旋和轨道微观自由度对超导材料的宏观特性起到至关重要的作用.在超导体系中,特别是非常规超导材料,这些自由度衍生出具有不同能量尺度的玻色激发和有序态.前者如声子、磁振子、电荷密度波、自旋密度波、自旋涨落、向列涨落等;后者如超导态、赝能隙态、向列相、反铁磁/铁磁等.前者与后者的形成密切相关.尤其是,不同的玻色激发在频域内纠缠在一起彼此相互作用,同时又与电子(或准粒子)耦合,构建出复杂而又丰富的平衡态和非平衡态物理过程.超快光谱技术的独特性在于具有宽能量范围和高时间分辨率的特点,利用光(电磁波)与超导材料相互作用中的线性和非线性响应,可以共振或非共振地探测与调控这类材料中的准平衡或非平衡态动力学属性.因为桌面超快光谱系统功能全面且具有很大的灵活性,它不仅被应用于超导体系,而且被广泛应用于其他各种无机和有机材料.由于非平衡态理论,特别是与关联电子体系相关的,目前还处在快速发展的阶段,所以本综述主要介绍了常用的桌面超快光谱技术和目前被广泛使用的相关分析理论,聚焦于讨论超导材料中超快光谱实验数据涌现出来的一些普适性趋势及进展.所涉及的超导材料包含了常规超导体、铜氧化物超导体、铁基超导体和重费米子超导体.     

Evidence for spin-charge separation in quasi-one-dimensional organic conductors

Interacting conduction electrons are usually described within Fermi-liquid theory, which states that, in spite of strong interactions, the low-energy excitations are electron-like quasiparticles with charge and spin. In recent years there has been tremendous interest in conducting systems that are not Fermi liquids, motivated by the observation of highly anomalous metallic states in various materials, most notably the copper oxide superconductors. Non-Fermi-liquid behaviour is generic to one-dimensional interacting electron systems, which are predicted to be Luttinger liquids. One of their key properties is spin-charge separation: instead of quasiparticles, collective excitations of charge (with no spin) and spin (with no charge) are formed, which move independently and at different velocities. However, experimental confirmation of spin-charge separation remains a challenge. Here we report experiments probing the charge and heat current in quasi-one-dimensional conductors--the organic Bechgaard salts. It was found that the charge and spin excitations have distinctly different thermal conductivities, which gives strong evidence for spin-charge separation. The spin excitations have a much larger thermal conductivity than the charge excitations, which indicates that the coupling of the charge excitations to the lattice is important.     

低聚炔基芴衍生物电子光谱的理论研究

运用密度泛函(DFT)B3LYP方法、从头算单激发组态相互作用(CIS)方法分别优化了炔基取代芴的单体和三聚体的基态及最低激发单重态几何结构.系统分析了分子结构、前线分子轨道特征以探索电子跃迁机理.应用含时密度泛函理论(TD-DFT)计算了分子的电子光谱,得到三聚芴炔的最大吸收及发射光谱分别为417和447 nm,与实验结果接近.同时探讨了单体和低聚体系不同的发光特征,指出炔基芴的低聚体系是良好的蓝光材料.     

不同激励聚焦声源的焦斑特性比较

数值计算了在连续波,衰减波以及脉冲波等不同激励方式下凹球辐射面的聚焦声场,在此基础上,对不同激励源的焦斑特性进行了分析比较,对影响焦特性变化的因素进行了分析研究。计算结果表明,在碎石机的常用工作条件下,当脉冲波的主频与连续波频率相近时,其焦斑的尺寸大约是同样条件下连续波斑的二分之一。     

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.     

Low-energy acoustic plasmons at metal surfaces

Nearly two-dimensional (2D) metallic systems formed in charge inversion layers and artificial layered materials permit the existence of low-energy collective excitations, called 2D plasmons, which are not found in a three-dimensional (3D) metal. These excitations have caused considerable interest because their low energy allows them to participate in many dynamical processes involving electrons and phonons, and because they might mediate the formation of Cooper pairs in high-transition-temperature superconductors. Metals often support electronic states that are confined to the surface, forming a nearly 2D electron-density layer. However, it was argued that these systems could not support low-energy collective excitations because they would be screened out by the underlying bulk electrons. Rather, metallic surfaces should support only conventional surface plasmons-higher-energy modes that depend only on the electron density. Surface plasmons have important applications in microscopy and sub-wavelength optics, but have no relevance to the low-energy dynamics. Here we show that, in contrast to expectations, a low-energy collective excitation mode can be found on bare metal surfaces. The mode has an acoustic (linear) dispersion, different to the dependence of a 2D plasmon, and was observed on Be(0001) using angle-resolved electron energy loss spectroscopy. First-principles calculations show that it is caused by the coexistence of a partially occupied quasi-2D surface-state band with the underlying 3D bulk electron continuum and also that the non-local character of the dielectric function prevents it from being screened out by the 3D states. The acoustic plasmon reported here has a very general character and should be present on many metal surfaces. Furthermore, its acoustic dispersion allows the confinement of light on small surface areas and in a broad frequency range, which is relevant for nano-optics and photonics applications.     

Real-space imaging of an orbital Kondo resonance on the Cr(001) surface

The Kondo effect is usually connected with the interaction between a localized spin moment and itinerant electrons. This interaction leads to the formation of a narrow resonance at the Fermi level, which is called the Abrikosov-Suhl or Kondo resonance. Scanning tunnelling microscopy is an ideal technique for real-space investigations of complicated electronic structures and many-body phenomena, such as the formation of the Kondo resonance or d-wave pairing in high-T(c) superconductors. Theory has predicted that similar, Kondo-like many-electron resonances are possible for scattering centres with orbital instead of spin degrees of freedom--the quadruple momenta in uranium-based compounds or two-level systems in metallic glasses are examples of such 'pseudo-Kondo' scattering centres. Here we present evidence for the orbital Kondo resonance on a transition-metal surface. Investigations of an atomically clean Cr(001) surface at low temperature using scanning tunnelling microscopy reveal a very narrow resonance at 26 meV above the Fermi level, and enable us to visualize the orbital character of the corresponding state. The experimental data, together with many-body calculations, demonstrate that the observed resonance is an orbital Kondo resonance formed by two degenerate d(xz), d(yz) surface states.     

TR唯象模型中的集体激发对比热的贡献

通过计算非费米液体重费米子体系的ＴＲ唯象模型中的集体激发对比 热的贡献,发现集体激发对比热的贡献与温度的４／３次幂成正比．这说明不能从 集体激发对比热的贡献来解释在实验上观察到的电子比热系数为温度的对数函数的非费来液体行为．     

C-H键核自旋耦合常数的理论研究

文章利用自然杂化轨道以从头算级别的理论方法,选择较小基组STO-3G,在此水平上对28个分子进行构型优化,频率分析,并在相同水平上研究了这些分子的C—H键核自旋耦合常数。由此拟合出一个基于STO-3G基组水平上的计算核自旋耦合常数的公式,并选用3种化合物进行检验,理论计算值较好地与文献值相符合。因此可采用此公式对其它分子体系的核自旋耦合常数进行预测。该方法有一定可操作性和可信度,对NMR的量子化学研究有一定参考意义。     

非传播孤立波的两个数学模型

本文为非传播孤立波建立了两种数学模型:一是考虑表面张力影响的势流模型,并得到了关于垂直激振和水平激振稳态解的近似解析表达式,与实验观测现象较为吻合;二是考虑表面张力以及粘性影响的非惯性系水柱模型,在垂直激振情况下,有限差分数值结果也与实验数据相近.     

Room-temperature electronic phase transitions in the continuous phase diagrams of perovskite manganites

Highly correlated electronic systems--such as transition-metal oxides that are doped Mott insulators--are complex systems which exhibit puzzling phenomena, including high-temperature superconductivity and colossal magnetoresistivity. Recent studies suggest that in such systems collective electronic phenomena are important, arising from long-range Coulomb interactions and magnetic effects. The qualitative behaviour of these systems is strongly dependent on charge filling (the level of doping) and the lattice constant. Here we report a time-efficient and systematic experimental approach for studying the phase diagrams of condensed-matter systems. It involves the continuous mapping of the physical properties of epitaxial thin films of perovskite manganites (a class of doped Mott insulator) as their composition is varied. We discover evidence that suggests the presence of phase boundaries of electronic origin at room temperature.     

非简谐势中两组分简并费米气体的集体激发

研究了在一个扭曲的谐振势中两组分简并费米气体的集体激发.运用变分法导出了1组描述两组分简并费米气体质心运动与宽度变化的耦合方程,获得了2个低能激发模.在不同的有效s波相互作用和有效p波相互作用下,分别讨论了由于势的非简谐改变引起的集体激发的频移和集体激发的塌缩与恢复.     

LaMnO_3的电子结构研究

采用密度泛函对LaMnO3超晶格的电子结构进行了计算.计算结果表明Jahn-Teller畸变对LaMnO3反铁磁基态的获得至关重要,这与理论预期相一致.然而,eg轨道和t2g轨道能级的分离则主要取决于锰氧八面体的倾斜,而不依赖于材料中是否存在Jahn-Teller畸变.     

Magnetic and non-magnetic phases of a quantum spin liquid

A quantum spin-liquid phase is an intriguing possibility for a system of strongly interacting magnetic units in which the usual magnetically ordered ground state is avoided owing to strong quantum fluctuations. It was first predicted theoretically for a triangular-lattice model with antiferromagnetically coupled S = 1/2 spins. Recently, materials have become available showing persuasive experimental evidence for such a state. Although many studies show that the ideal triangular lattice of S = 1/2 Heisenberg spins actually orders magnetically into a three-sublattice, non-collinear 120° arrangement, quantum fluctuations significantly reduce the size of the ordered moment. This residual ordering can be completely suppressed when higher-order ring-exchange magnetic interactions are significant, as found in nearly metallic Mott insulators. The layered molecular system κ-(BEDT-TTF)(2)Cu(2)(CN)(3) is a Mott insulator with an almost isotropic, triangular magnetic lattice of spin-1/2 BEDT-TTF dimers that provides a prime example of a spin liquid formed in this way. Despite a high-temperature exchange coupling, J, of 250 K (ref. 6), no obvious signature of conventional magnetic ordering is seen down to 20 mK (refs 7, 8). Here we show, using muon spin rotation, that applying a small magnetic field to this system produces a quantum phase transition between the spin-liquid phase and an antiferromagnetic phase with a strongly suppressed moment. This can be described as Bose-Einstein condensation of spin excitations with an extremely small spin gap. At higher fields, a second transition is found that suggests a threshold for deconfinement of the spin excitations. Our studies reveal the low-temperature magnetic phase diagram and enable us to measure characteristic critical properties. We compare our results closely with current theoretical models, and this gives some further insight into the nature of the spin-liquid phase.     

Charge self-regulation upon changing the oxidation state of transition metals in insulators

Transition-metal atoms embedded in an ionic or semiconducting crystal can exist in various oxidation states that have distinct signatures in X-ray photoemission spectroscopy and 'ionic radii' which vary with the oxidation state of the atom. These oxidation states are often tacitly associated with a physical ionization of the transition-metal atoms--that is, a literal transfer of charge to or from the atoms. Physical models have been founded on this charge-transfer paradigm, but first-principles quantum mechanical calculations show only negligible changes in the local transition-metal charge as the oxidation state is altered. Here we explain this peculiar tendency of transition-metal atoms to maintain a constant local charge under external perturbations in terms of an inherent, homeostasis-like negative feedback. We show that signatures of oxidation states and multivalence--such as X-ray photoemission core-level shifts, ionic radii and variations in local magnetization--that have often been interpreted as literal charge transfer are instead a consequence of the negative-feedback charge regulation.     

Observation of a roton collective mode in a two-dimensional Fermi liquid

Understanding the dynamics of correlated many-body quantum systems is a challenge for modern physics. Owing to the simplicity of their Hamiltonians, (4)He (bosons) and (3)He (fermions) have served as model systems for strongly interacting quantum fluids, with substantial efforts devoted to their understanding. An important milestone was the direct observation of the collective phonon-roton mode in liquid (4)He by neutron scattering, verifying Landau's prediction and his fruitful concept of elementary excitations. In a Fermi system, collective density fluctuations (known as 'zero-sound' in (3)He, and 'plasmons' in charged systems) and incoherent particle-hole excitations are observed. At small wavevectors and energies, both types of excitation are described by Landau's theory of Fermi liquids. At higher wavevectors, the collective mode enters the particle-hole band, where it is strongly damped. The dynamics of Fermi liquids at high wavevectors was thus believed to be essentially incoherent. Here we report inelastic neutron scattering measurements of a monolayer of liquid (3)He, observing a roton-like excitation. We find that the collective density mode reappears as a well defined excitation at momentum transfers larger than twice the Fermi momentum. We thus observe unexpected collective behaviour of a Fermi many-body system in the regime beyond the scope of Landau's theory. A satisfactory interpretation of the measured spectra is obtained using a dynamic many-body theory.     

Bose-Einstein condensation of quasi-equilibrium magnons at room temperature under pumping

Bose-Einstein condensation is one of the most fascinating phenomena predicted by quantum mechanics. It involves the formation of a collective quantum state composed of identical particles with integer angular momentum (bosons), if the particle density exceeds a critical value. To achieve Bose-Einstein condensation, one can either decrease the temperature or increase the density of bosons. It has been predicted that a quasi-equilibrium system of bosons could undergo Bose-Einstein condensation even at relatively high temperatures, if the flow rate of energy pumped into the system exceeds a critical value. Here we report the observation of Bose-Einstein condensation in a gas of magnons at room temperature. Magnons are the quanta of magnetic excitations in a magnetically ordered ensemble of magnetic moments. In thermal equilibrium, they can be described by Bose-Einstein statistics with zero chemical potential and a temperature-dependent density. In the experiments presented here, we show that by using a technique of microwave pumping it is possible to excite additional magnons and to create a gas of quasi-equilibrium magnons with a non-zero chemical potential. With increasing pumping intensity, the chemical potential reaches the energy of the lowest magnon state, and a Bose condensate of magnons is formed.     

碘掺杂聚乙炔的正电子湮没谱和结构缺陷转变

本文研究了反式碘掺杂聚乙炔[CH(I_3)_y]_x在室温下正电子湮没寿命随掺杂浓度y的变化关系,发现y约在0.0025和0.043处寿命谱出现明显的突变.计算了杂质势和链间耦合积分.用链间耦合随掺杂浓度增强的概念,说明了出现上述两个突变的原因和主要元激发的转变,解释了磁化率随掺杂浓度变化的实验规律,讨论了三个区域的导电模型和电导率随温度的变化关系.     

Detecting the breakup of spiral waves in small-world networks of neurons due to channel block

The breakup of a spiral wave by blockade of sodium and potassium channels in a small-world network of Hodgkin-Huxley neurons is investigated in detail.The influence of ion channel block in poisoned excitable membrane patches of a certain size is measured,by varying channel noise and channel densities resulting from the change in conductance,For example,tetraethylammonium is known to cause a block(poisoning) of potassium channels,while tetrodotoxin blocks sodium channels.We observed the occurrence of spiral waves,which are ordered waves believed to play an important role in facilitating the propagation of electric signals across quiescent regions of the brain.In this paper,the effect of channel block was measured by the factors xK and xNa,which represent the ratios of unblocked,or active,ion channels,to the overall number of potassium or sodium ion channels,respectively.To quantify these observations,we use a simple but robust synchronization measure,which succinctly captures the transition from spiral waves to other collective states,such as broken segments resulting from the breakup of the spiral wave.The critical thresholds of channel block can be inferred from the abrupt changes occurring in plots of the synchronization measure against different values of xK and xNa.Notably,small synchronization factors can be tightly associated with states where the formation of spiral waves is robust to mild channel block.