Localized excitation in the hybridization gap in YbAl3

The intermediate valence compound YbAl3 exhibits a broad magnetic excitation in the inelastic neutron scattering spectrum with characteristic energy E1 approximately 50 meV, equal to the Kondo energy (T(K) approximately 600-700 K). In the low temperature (T < T(coh) approximately 40 K) Fermi liquid state, however, a new peak in the scattering occurs at E2 approximately 33 meV, which lies in the hybridization gap that exists in this compound. We report inelastic neutron scattering results for a single-crystal sample. The scattering at energies near E1 qualitatively has the momentum (Q) dependence expected for interband scattering across the indirect gap. The scattering near E2 has a very different Q dependence: it is a weak function of Q over a large fraction of the Brillouin zone and is smallest near (1/2,1/2, 1/2). A possibility is that the peak at E2 arises from a spatially localized excitation in the hybridization gap.     

Nature of the magnetic excitation spectrum in (Sm,Y)S: CEF effects or an exciton?

The dynamic magnetic susceptibility spectrum in a single-crystal sample of the intermediate-valence compound Sm_0.67Y_0.33S is studied by inelastic neutron scattering with neutron momentum transfer and sample temperatures varying over wide ranges. Two coupled collective modes have been found in the spectrum. Unlike the higher energy mode, whose intensity approximately follows the form factor of Sm²⁺, the lower energy mode exhibits a stronger angular dependence than could be expected from the form factor for the localized f electrons. The total intensity of the inelastic component of the magnetic response decreases with increasing temperature; this is accompanied by the appearance of a broad quasi-elastic signal of a magnetic nature at significantly lower temperatures than follows from the calculated intensities of the transitions within the excited multiplet of the Sm²⁺ ion. An analysis of the observed features allows the suggestion to be made that the fine structure of the magnetic excitation spectrum in (Sm,Y)S is associated with the formation of an exciton-like intermediate-valence state on Sm ions rather than with the crystal-electric-field effects.     

Dynamics of liquid 4He in vycor

Using inelastic neutron scattering, we have observed well-defined phonon-roton ( p-r) excitations in superfluid 4He in Vycor over a wide wave-vector range, 0.3相似文献   

Spin dynamics in Yb- and Sm-based systems with the nonmagnetic ground state

The nature and formation conditions of the ground state and the dynamic magnetic response (the magnetic excitation spectrum) of the YbB₁₂ and Sm(Y)S systems with the nonmagnetic ground state have been studied using inelastic neutron scattering.     

Magnetic excitations in EuCu(2)(Si(x)Ge(1-x))(2): from mixed valence towards magnetism

We report the inelastic neutron scattering study of spin dynamics in EuCu(2)(Si(x)Ge(1-x))(2) (x?=?1, 0.9, 0.75, 0.6), performed in a wide temperature range. At x?=?1 the magnetic excitation spectrum was found to be represented by the double-peak structure well below the energy range of the Eu(3+) spin-orbit (SO) excitation (7)F(0)→(7)F(1), so that at least the high-energy spectral component can be assigned to the renormalized SO transition. Change of the Eu valence towards 2?+ with increased temperature and/or Ge concentration results in further renormalization (lowering the energy) and gradual suppression of both inelastic peaks in the spectrum, along with developing sizeable quasielastic signal. The origin of the spectral structure and its evolution is discussed in terms of excitonic model for the mixed valence state.     

Damping of antiferromagnetic spin waves by valence fluctuations in the double layer perovskite YBaFe2O5

Inelastic neutron scattering experiments show that spin dynamics in the charge-ordered insulating ground state of the double layer perovskite YBaFe(2)O(5) is well described in terms of e(g) superexchange interactions. Above the Verwey transition at T(V)=308 K, t(2g) double exchange-type conduction proceeds within antiferromagnetic FeO(2)-BaO-FeO(2) double layers by an electron hopping process that requires a spin flip of the five-coordinated Fe ions, costing an energy of 5S(2) approximately 0.1 eV. The hopping process disrupts near-neighbor spin correlations, leading to massive damping of zone-boundary spin waves.     

Resonant spin excitation in an overdoped high temperature superconductor

An inelastic neutron scattering study of overdoped Bi(2)Sr(2)CaCu(2)O(8+delta) ( T(c) = 83 K) has revealed a resonant spin excitation in the superconducting state. The mode energy is E(res) = 38.0 meV, significantly lower than in optimally doped Bi(2)Sr(2)CaCu(2)O(8+delta) ( T(c) = 91 K, E(res) = 42.4 meV). This observation, which indicates a constant ratio E(res)/k(B)T(c) approximately 5.4, helps resolve a long-standing controversy about the origin of the resonant spin excitation in high temperature superconductors.     

Superconducting terminals as sensitive probes for scarred states

When a quantum-chaotic normal conductor is coupled to a superconductor, the random-matrix theory (RMT) predicts that a gap opens up in the excitation spectrum which is of universal size E(g)(RMT) approximately 0.3 Planck/t(D), where t(D) is the mean scattering time between Andreev reflections. We show that a scarred state of long lifetime t(S)>t(D) suppresses the excitation gap over a window DeltaE approximately 2E(g)(RMT) which can be much larger than the narrow resonance width GammaS= Planck/t(S) of the scar in the normal system. The minimal value of the excitation gap within this window is given by GammaS/2相似文献   

Quantum theory of electron stimulated desorption

The process of electron stimulated desorption of adsorbates from metal surfaces is investigated within the framework of quantum mechanical scattering theory. The Born-Oppenheimer adiabatic approximation is assumed to be valid for the adsorbate motion. The transition amplitude for desorption via the resonant excitation of excited states of the adsorbate then can be factorized into an electronic excitation amplitude and a Franck-Condon factor. The Franck-Condon factor is more complicated than in molecules. The continuum of substrate excitations coupling to the adsorbate gives rise to an absorptive part of the Born-Oppenheimer potential governing the motion of the adsorbate in the excited state. This absorptive part leads to a considerable reduction of the desorption cross section. Explicit quantum mechanical expressions for the corresponding reduction factor are given.The desorption of neutrals is considered in some detail. It turns out that within the adiabatic approximation this process requires the existence of neutral excited states of the adsorbate. The reneutralization of ionic excited states by electron capture from the substrate back into the ground state of the adsorbate, while possible on purely energetical grounds, occurs with zero probability in the adiabatic approximation and thus cannot be responsible for the large abundance of neutral desorbing particles. Neutral excited states of the adsorbate in principle should show up in inelastic electron scattering. The relation between electron stimulated desorption cross sections and inelastic electron scattering cross sections is discussed briefly.     

Quantum theory of electron stimulated desorption

The process of electron stimulated desorption of adsorbates from metal surfaces is investigated within the framework of quantum mechanical scattering theory. The Born-Oppenheimer adiabatic approximation is assumed to be valid for the adsorbate motion. The transition amplitude for desorption via the resonant excitation of excited states of the adsorbate then can be factorized into an electronic excitation amplitude and a Franck-Condon factor. The Franck-Condon factor is more complicated than in molecules. The continuum of substrate excitations coupling to the adsorbate gives rise to an absorptive part of the Born-Oppenheimer potential governing the motion of the adsorbate in the excited state. This absorptive part leads to a considerable reduction of the desorption cross section. Explicit quantum mechanical expressions for the corresponding reduction factor are given.The desorption of neutrals is considered in some detail. It turns out that within the adiabatic approximation this process requires the existence of neutral excited states of the adsorbate. The reneutralization of ionic excited states by electron capture from the substrate back into the ground state of the adsorbate, while possible on purely energetical grounds, occurs with zero probability in the adiabatic approximation and thus cannot be responsible for the large abundance of neutral desorbing particles. Neutral excited states of the adsorbate in principle should show up in inelastic electron scattering. The relation between electron stimulated desorption cross sections and inelastic electron scattering cross sections is discussed briefly.On leave of absence from (present address) Physikdepartment der TUM, München-Garching and Max-Planck-Institut für Festkörperforschung, Stuttgart     

Experimental realization of a 2D fractional quantum spin liquid

The ground-state ordering and dynamics of the two-dimensional S = 1/2 frustrated Heisenberg antiferromagnet Cs(2)CuCl(4) are explored using neutron scattering in high magnetic fields. We find that the dynamic correlations show a highly dispersive continuum of excited states, characteristic of the resonating valence bond state, arising from pairs of S = 1/2 spinons. Quantum renormalization factors for the excitation energies (1.65) and incommensuration (0.56) are large.     

Dynamical correlation in double excitations of helium studied by high-resolution and angular-resolved fast-electron energy-loss spectroscopy in absolute measurements

The momentum transfer dependence of fundamental double excitation processes of helium is studied by absolute measurements using an angular resolved fast-electron energy loss spectrometer with high energy resolution. It elucidates the dynamical correlations, in terms of internal correlation quantum numbers, K, T, and A. The Fano profile parameters q, f(a), rho2, f, and S of doubly excited states (2)(1,0)+2 (1)S(e), (2)(1,0)+2 (1)D(e), and (2)(0,1)+2 (1)P(o) are reported as functions of momentum transfer K2. Qualitative analysis is given for the states of (2)(-1,0)+2 (1)S(e) and (2)(1,0)+2 (1)S(e).     

Spin correlations among the charge carriers in an ordered stripe phase

We have observed a diffuse component to the low-energy magnetic excitation spectrum of stripe-ordered La(5/3)Sr(1/3)NiO4 probed by neutron inelastic scattering. The diffuse scattering forms a square pattern with sides parallel and perpendicular to the stripe directions. The signal is dispersive, with a maximum energy of approximately 10 meV. Probed at 2 meV, the scattering decreases in strength with increasing temperature, and is barely visible at 100 K. We argue that the signal originates from dynamic, quasi-one-dimensional, antiferromagnetic correlations among the stripe electrons.     

基于密度泛函理论的维生素C紫外光谱与激发性质的计算

维生素C为酸性己糖衍生物,有L-型（抗坏血酸（AA））和D-型（脱氢抗坏血酸（DHA））两种异构体,DHA是AA的第一个稳定氧化产物,是AA的可逆氧化形式,因此,对AA的任何性质或度量的讨论都将涉及同一体系中DHA的性质。紫外光谱是电子跃迁难易程度和几率的直观体现,理论计算方法与分子模型的构建不合理,都将导致对维生素C的最大吸收峰产生误判,从而无法准确的表征维生素C的激发性质。因此,为准确探究维生素C的抗氧化机理,在液相环境中,基于密度泛函理论（DFT）和含时密度泛函（TD-DFT）理论,分别采用pbepbe/6-311++g(2d, 2p)方法和B3LYP/6-311++g(2d, 2p)方法,计算并分析了维生素C的抗坏血酸和脱氢抗坏血酸分子的结构、紫外光谱及电子激发特征。结果表明：pbepbe/6-311++g(2d, 2p)是计算AA紫外吸收光谱更精确的方法;DHA比AA的环状结构发生了显著的平面扭曲。紫外光谱分析可知,基态跃迁到S1,S2,S3,S4,S14和S18激发态为AA产生紫外光谱的主要原因,AA位于200.171 5 nm处的吸收峰包含n→π*,n→σ*电子跃迁,266.9248 nm处的吸收峰包含n→π*和π→π*的跃迁。基态跃迁到S6,S9,S12,S13,S15,S16,S17,S19和S20激发态为DHA产生紫外光谱的主要原因,DHA的最强吸收峰位于181.024 8 nm处,具有n→σ*和n→π*的跃迁特征,231.346 39 nm处微弱的吸收峰指认为n→π*跃迁,282.466 8 nm处的吸收峰主要对应n→π*的跃迁;通过空穴-电子分布及其衍生量的分析,可定性地对AA吸收峰起主要作用的7个激发态的特征及对DHA吸收峰起主要作用的9个激发态的特征进行详细的指认。其中对AA紫外光谱起主要贡献的S4,S13和S14激发态与对DHA紫外光谱起主要贡献的S6,S9,S17和S20激发态电荷转移较明显,空穴的质心中心和电子质心的中心分离较明显,可以指认为电荷转移激发,而其他激发态的电子与空穴分离程度很低,指认为局域激发。     

Raman study of the orbital-phonon coupling in LaCoO3

The magnetic state in LaCoO3 changes from the low spin state (S=0) to the mixed state with a thermally excited intermediate spin state (IS) (S=1) above about 50 K. The partially filled e(g) orbital in the IS state has a nature of Jahn-Teller (JT) distortion. The cooperative JT distortion causes an orbital order. We found that all Raman active phonon modes are affected by the excitation of IS Co3+ ions. Especially, the JT vibration mode shows anomalous temperature dependence.     

Response of acoustic phonons to charge and orbital order in the 50% doped bilayer manganite LaSr2Mn2O7

We report an inelastic neutron scattering study of acoustic phonons in the charge and orbitally ordered bilayer manganite LaSr(2)Mn(2)O(7). For excitation energies less than 15 meV, we observe an abrupt increase (decrease) of the phonon energies (linewidths) of a transverse acoustic phonon branch at q = (h, h, 0), h ≤ 0.3, upon entering the low temperature charge and orbital ordered state (T(COO) = 225 K). This indicates a reduced electron-phonon coupling due to a decrease of electronic states at the Fermi level leading to a partial removal of the Fermi surface below T(COO) and provides direct experimental evidence for a link between electron-phonon coupling and charge order in manganites.     

First inelastic neutron scattering studies on thin free standing polymer films

Glass transition studies in free standing polymer films have revealed values of the transition temperature, T(g), which were substantially reduced below the bulk for sufficiently thin films. Here we report on the preparation of two stacks of free standing polystyrene films: 70 films with a thickness of h approximately 107 nm and 140 films with h approximately 55 nm with equivalent total sample thicknesses of approximately 7.5 microm. We have performed the first measurements on such samples using inelastic neutron scattering, and demonstrate that inelastic neutron scattering experiments, performed on the time-of-flight spectrometer IN6 and the backscattering spectrometer IN16 at the Institut Laue-Langevin, are feasible.     

Approaching the ground state of the kagomé antiferromagnet

Y0.5Ca0.5BaCo4O7 contains kagomé layers of Co ions, whose spins are strongly coupled, with a Curie-Weiss temperature of -2200 K. At low temperature, T=1.2 K, our diffuse neutron scattering study with polarization analysis reveals characteristic spin correlations close to a predicted two-dimensional coplanar ground state with staggered chirality. The absence of three-dimensional long-range antiferromagnetic order indicates negligible coupling between the kagomé layers. The scattering intensities are consistent with high spin S=3/2 states of Co2+ in the kagomé layers and low spin S=0 states for Co3+ ions on interlayer sites. Our observations agree with previous Monte Carlo simulations indicating a ground state of effectively short range, staggered chiral spin order.     

Heisenberg pentamer: insights into inelastic neutron scattering on magnetic clusters

Assuming Heisenberg interactions and the symmetric case of a spin S-S' pentamer, the energy eigenstates can be determined exactly. With the energies known, the inelastic neutron scattering intensities are then calculated for the special case of a 1-1/2 pentamer. Through an analysis of these results, two main insights are gained. (1) Because of symmetry constraints, not all ΔS(tot) = ±1 transitions are accessible by inelastic neutron scattering (INS). This constrains the standard selections rules for magnetic excitations. (2) The INS signatures of magnetic clusters are directly dependent on the state and component that is excited.