The effect of an anti-hydrogen bond on Fermi resonance:A Raman spectroscopic study of the Fermi doublet ν1-ν12 of liquid pyridine

The effects of an anti-hydrogen bond on the ν1-ν12 Fermi resonance(FR) of pyridine are experimentally investigated by using Raman scattering spectroscopy.Three systems,pyridine/water,pyridine/formamide,and pyridine/carbon tetrachloride,provide varying degrees of strength for the diluent-pyridine anti-hydrogen bond complex.Water forms a stronger anti-hydrogen bond with pyridine than with formamide,and in the case of adding non-polar solvent carbon tetrachloride,which is neither a hydrogen bond donor nor an acceptor and incapable of forming a hydrogen bond with pyridine,the intermolecular distance of pyridine will increase and the interaction of pyridine molecules will reduce.The dilution studies are performed on the three systems.Comparing with the values of the Fermi coupling coefficient W of the ring breathing mode ν1 and triangle mode ν12 of pyridine at different volume concentrations,which are calculated according to the Bertran equations,in three systems,we find that the solution with the strongest anti-hydrogen bond,water,shows the fastest change in the ν1-ν12 Fermi coupling coefficient W with the volume concentration varying,followed by the formamide and carbon tetrachloride solutions.These results suggest that the stronger anti-hydrogen bond-forming effect will cause a greater reduction in the strength of the ν1-ν12 FR of pyridine.According to the mechanism of the formation of an anti-hydrogen bond in the complexes and the FR theory,a qualitative explanation for the anti-hydrogen bond effect in reducing the strength of the ν1-ν12 FR of pyridine is given.     

The effect of anti-hydrogen bond on Fermi resonance: A Raman spectroscopic study of the Fermi doublet ν1—ν12 of liquid pyridine

The effects of anti-hydrogen bond on the ν₁—ν₁₂ Fermi resonance (FR) of pyridine are experimentally investigated by using Raman scattering spectroscopy. Three systems, pyridine/water, pyridine/formamide, pyridine/carbon tetrachloride, provide varying degrees of strength for the diluent-pyridine anti-hydrogen bond complex. Water forms a stronger anti-hydrogen bond with pyridine than with formamide, and in the case of adding non-polar solvent carbon tetrachloride, which is neither a hydrogen bond donor nor an acceptor and incapable of forming hydrogen bond with pyridine, the intermolecular distance of pyridine will increase and the interaction of pyridine molecules will reduce. The dilution studies are performed on the three systems. Comparing with the values of Fermi coupling coefficient W of the ring breathing mode ν ₁ and triangle mode ν ₁₂ of pyridine at different volume concentrations, which are calculated according to the Bertran equations, in three systems, we find that the solution with the strongest anti-hydrogen bond, water, shows the fastest change in the ν₁—ν₁₂ Fermi coupling coefficient W with the volume concentration varying, followed by the formamide and carbon tetrachloride solutions. These results suggest that the stronger anti-hydrogen bond-forming effect will cause a greater reduction in the strength of the ν₁—ν₁₂ FR of pyridine. According to the mechanism of the formation of anti-hydrogen bond in the complexes and the FR theory, a qualitative explanation for the anti-hydrogen bond effect in reducing the strength of the ν₁—ν₁₂ FR of pyridine is given.     

The instability conditions of a gas trapped in weak weakly interacting Fermi magnetic field

In this paper the analytical expression of free energy expressed by small parameter r of a weakly interacting Fermi gas trapped in weak magnetic field is derived by using `the maximum approximation' method and the ensemble theory. Based on the derived expression, the exact instability conditions of a weakly interacting Fermi gas trapped in weak magnetic field at both high and low temperatures are given. From the instability conditions we get the following two results. (1) At the whole low-temperature extent, whether the interactions are repulsive or attractive with (ɑn + 4\varepsilon_F/3) (n and \varepsilon _F denote the particle-number density and the Fermi energy respectively, ɑ= 4π a\hbar_F/ m, and a is s-wave scattering length) positive, there is a lower-limit magnetic field of instability; in addition, there is an upper-limit magnetic field for the system of attractive interactions with (ɑ n + \varepsilon_F/3) negative. (2) At the whole high-temperature extent, the system with repulsive interactions is always stable, but for the system with attractive interactions, the greater the scattering length of attractive interactions | a | is, the stronger the magnetic field is and the larger the particle-number density is, the bigger the possibility of instability in the system will be.     

Fano Resonance in Landau Fermi and Luttinger Liquids

With a two-channel model, we study the influence of temperature, external voltage and magnetic flux on the line shape of the Fano resonance, and show that in the Luttinger liquid case, the background transmittance and the asymmetric parameter depend strongly on the temperature and external voltage, while for the Landau Fermi liquid case they are nearly independent of these parameters in the low energy region. Moreover, we demonstrate that the asymmetric parameter changes periodically with an external magnetic flux, which is consistent with the recent experimental data.     

Effects of Magnetic Field on the Valence Bond Property of the Double—Quantum—Dot Molecule

The effects of the magnetic field on the valence bond property of the double-quantum-dot molecule are numerically studied by the finite element method and perturbation approach because of the absence of cylindrical symmetry in the horizontally coupled dots.The calculation results show that the energy value of the ground state changes differently from that of the first excited state with increasing magnetic field strength,and they cross under a certain magnetic field.The increasing magnetic field makes the covalent bond state change into an ionic bond state,which agrees qualitatively with experimental results and and makes ionic bond states remain.The oscillator strength of transition between covalent bond states decreases distinctly with the increasing magnetic field strength,when the molecule is irradiated by polarized light.Such a phenomenon is possibly useful for actual applications.     

A first-principles study of B2 NiAl alloyed with rare earth elements Pr,Pm,Sm,and Eu

The structural,elastic,and electronic properties of NiAl alloyed with rare earth elements Pr,Pm,Sm,and Eu are investigated by using density functional theory(DFT).The study suggests that Pr,Pm,Sm,and Eu all tend to be substituted for an Al site.Ni8Al7Pm possesses the largest ductility.Only the hardness and ductility of Ni8Al7Eu are enhanced simultaneously.The covalency strength of the Ni-Al bond in Ni8Al7Pm is higher than that in Ni8Al7Eu.The covalency strength of an Al-Al bond and that of a Ni-Ni bond in Ni8Al7Eu are higher than that in Ni8Al7Pm.The Ni-Pm bond and the Ni-Eu bond are covalent,and the covalency strength of the Ni-Pm bond is greater.The Al-Pm bond and the Al-Eu bond show great covalency strength and ionicity,respectively.     

Influence of pressure effect on Fermi resonance in binary solution

The Fermi resonance behaviours of the two groups of binary solutions --- pyridine and methanol, benzene and carbon tetrachloride, under different pressures are investigated according to their Raman spectra. The effect of pressure on Fermi resonance in binary solution differs significantly from that in pure liquid. In a binary solution, with the intermolecular distance shortening, the intermolecular interaction potential increases, the shift rates of the Raman spectral lines increase, the spectral line splitting occurs ahead of that in pure liquid, and the wavenumber separation Δ₀ between the unperturbed harmonic levels shifts more quickly, too. The Fermi resonance parameters, the coupling coefficient W and the intensity ratio R of the two Raman bands, decrease rapidly with pressure increasing, and the pressure at which Fermi resonance phenomenon disappears is much lower than that in pure liquid, especially in the solution whose molecules are of the same polarity. This article is valuable in the identification and the assignment of spectral lines under high pressure, as well as the study of high pressure effect, intermolecular interaction, and solvent effects in different cases, etc.     

Structure and bonding properties of Y doped ∑37 grain boundary in alumina

The microscopic structures and the bonding properties of Y-doped and undoped(0118)/[0441]/180?(Σ37) grain boundaries in alumina are investigated by using ab initio method.The formation energy of grain boundary and the segregation energy of Y to grain boundary are acquired.Electronic structures,potential distributions,bond orders and effective charges of Y-doped and undoped Σ37 GB systems are calculated.Our results reveal that the higher strength Y-O bond than Al-O bond is ascribed to the hybridization of Y(4p,3d) with O(2s).Meanwhile,dopant Y also causes a change in potential distribution in the grain boundary region,thereby further aflecting the transport property of ceramic alumina.     

Tunable negative-index photonic crystals using colloidal magnetic fluids

The model of using colloidal magnetic fluid to build tunable negative-index photonic crystal is established. The effective permittivity εe and permeability μe of the two-dimensional photonic crystal are investigated in detail. For transverse magnetic polarization, both εe and μe exhibit a Lorentz-type anomalous dispersion, leading to a region where εe and μe are simultaneously negative. Then, considering a practical case, in which the thickness of photonic crystal is finite, the band structures for odd modes are calculated by the plane wave expansion method and the finite-difference time-domain method. The results suggest that reducing the external magnetic field strength or slab thickness will weaken the periodic modulation strength of the photonic crystal. Simulation results prove that the negative-index can be tuned by varying the external magnetic field strength or the slab thickness. The work presented in this paper gives a guideline for realizing the flat photonic crystal lens with tunable properties at optical frequencies, which may have potential applications in tunable near-field imaging systems.     

Firing rates of coupled noisy excitable elements

The dynamics of coupled excitable FitzHugh Nagumo systems under external noisy driving is studied. Different from most of previous work focusing on the noise-induced regularity in the framework of coherence resonance, here the average frequency （or firing rate） of coupled excitable elements is of much more concern. We find that （i） their frequencies first increase and then decrease with the increase of the coupling, and there is a clear crossover from a rush increase to a smooth increase with the increase of noise strength, and （ii） for nonidentical cases, all elements transit to an identical frequency simultaneously only after a certain coupling strength is achieved. These first-increase-thendecrease non-monotonic frequency behavior and isochronous frequency synchronization are believed to be two basic behaviors in coupled noisy excitable systems.     

General principles to high-throughput constructing two-dimensional carbon allotropes

We propose general principles to construct two-dimensional(2D) single-atom-thick carbon allotropes. They can be viewed as the generalization of patterning Stone–Walse defects(SWDs) by manipulating bond rotation and of patterning inverse SWDs by adding(or removing) carbon pairs on the pristine graphene, respectively. With these principles, numerous 2D allotropes of carbon can be systematically constructed. Using 20 constructed 2D allotropes as prototypical and benchmark examples, besides nicely reproducing all well-known ones, such as pentaheptites, T-graphene, OPGs, etc, we still discover 13 new allotropes. Their structural, thermodynamic, dynamical, and electronic properties are calculated by means of first-principles calculations. All these allotropes are metastable in energy compared with that of graphene and, except for OPG-A and C3-10-H allotropes, the other phonon spectra of 18 selected allotropes are dynamically stable. In particular, the proposed C3-11 allotrope is energetically favorable than graphene when the temperature is increased up to 1043 K according to the derived free energies. The electronic band structures demonstrate that(i) the C3-8 allotrope is a semiconductor with an indirect DFT band gap of 1.04 e V,(ii) another unusual allotrope is C3-12 which exhibits a highly flat band just crossing the Fermi level,(iii) four allotropes are Dirac semimetals with the appearance of Dirac cones at the Fermi level in the lattices without hexagonal symmetry, and(vi) without the spin–orbit coupling(SOC) effect, the hexagonal C3-11 allotrope exhibits two Dirac cones at K and K points in its Brillouin zone in similarity with graphene.     

The effects of a static magnetic field on the microwave absorption of hydrogen plasma in carbon nanotubes： a numerical study

We theoretically investigate the microwave absorption properties of hydrogen plasma in iron-catalyzed high-pressure disproportionation-grown carbon nanotubes under an external static magnetic field in the frequency range 0.3 GHz to 30 GHz, using the Maxwell equations in conjunction with a general expression for the effective complex permittivity of magnetized plasma known as the Appleton-Hartree formula. The effects of the external static magnetic field intensity and the incident microwave propagation direction on the microwave absorption of hydrogen plasma in CNTs are studied in detail. The numerical results indicate that the microwave absorption properties of hydrogen plasma in iron-catalyzed high-pressure disproportionation-grown carbon nanotubes can be obviously improved when the exter- nal static magnetic field is applied to the material. It is found that the specified frequency microwave can be strongly absorbed by the hydrogen plasma in iron-catalyzed high-pressure disproportionation-grown carbon nanotubes over a wide range of incidence angles by adjusting the external magnetic field intensity and the parameters of the hydrogen plasma.     

Electronic Transport Properties of （7,0） Semiconducting Carbon Nanotube

Electronic transport properties of a finite （7,0） carbon nanotube （CNT） coupled to Au （111） surfaces are investigated with a fully nonequilibrium Green＇s functions method combined with the density functional theory. The results show that the coupling effect between the CNT and Au electrode plays an important role in the transport properties, which leads to the formation of a high plateau in the transmission spectrum around Fermi energy. In addition, the current-voltage characteristic of the （7,0） CNT coupled to Au electrodes is different from an isolated （7,0） CNT.     

First principles study of interactions of oxygen–carbon–vacancy in bcc Fe

Behaviors of C or O in bcc Fe and interactions of C–O and oxygen–carbon–vacancy(O–C–□) are investigated by first principles calculations. Octahedral interstitial site is the most stable position for an O atom in bcc Fe. The migration energy of an O atom in bcc Fe is 0.46 eV. The strength of O–Fe(1 nn) bond(0.32) is slightly greater than that of Fe–Fe metallic bond(0.26). Repulsive interactions of C–C, O–O, and C–O exist in bcc Fe. When the concentration of FIA(FIA refers to C or O) is relatively high, a vacancy can attract four FIAs and form stable FIAs–□ complex.     

Fulde-Ferrell-Like Molecular States in Spin-Orbit Coupled Ultracold Fermi Gases

We study the molecular state in three-component Fermi gases with a single impurity of ~6Li immersing in a no-interacting Fermi sea of ~(40)K in the presence of an equal weight combination of Rashba-type and Dresselhaustype spin-orbit coupling. In the region where the Fermi sea has two disjointed Fermi surfaces, we find that there are two Fulde–Ferrell-like molecular states with dominating contributions from the lower helicity branch. Decreasing the scattering length or the spin-orbit coupled Fermi energy, we find the Fulde–Ferrell-like molecular state with small center-of-mass momentum is always energy favored and the other one will suddenly disappear.     

Transition State Theory Rate in Nonlinear Environment: the Under-damping Case

We investigate the escape behavior of systems governed by the one-dimensional nonlinear Kramers‘ equation ()W/()t = -v()W/()x (f‘(x)/m)(()W/()v) γ()(vW)/()v (γkBT/m)(()2Wμ/()v2), where f(x) is a metastable potential and μ an anomalous exponent. We obtain an expression for the transition state theory escape rate, whose predictions are in good agreement with numerical simulations. The results exhibit the anomalies due to the nonlinearity in W that the TST rate grows with T and drops as μ becomes large at a fixed T. Indeed, particles in the subdiffusive media (μ＞ 1)can escape over the barrier only when T is above a critical value, while there does not exist this confinement in the superdiffusive media (μ＜1).     

Distinct Superconducting Gap on Two Bilayer-Split Fermi Surface Sheets in Bi_2Sr_2CaCu_2O_(8+δ) Superconductor

High resolution laser-based angle-resolved photoemission measurements are carried out on an overdoped superconductor Bi_2Sr_2CaCu_2O_(8+)with a_(c )of 75 K.Two Fermi surface sheets caused by bilayer splitting are clearly identified with rather different doping levels:the bonding sheet corresponds to a doping level of 0.14,which is slightly underdoped while the antibonding sheet has a doping of 0.27 that is heavily overdoped,giving an overall doping level of 0.20 for the sample.Different superconducting gap sizes on the two Fermi surface sheets are revealed.The superconducting gap on the antibonding Fermi surface sheet follows a standard d-wave form while it deviates from the standard d-wave form for the bonding Fermi surface sheet.The maximum gap difference between the two Fermi surface sheets near the antinodal region is～2 meV.These observations provide important information for studying the relationship between the Fermi surface topology and superconductivity,and the layer-dependent superconductivity in high temperature cuprate superconductors.     

Formulation of Leggett–Garg Inequalities in Terms of q-Entropies

As is well known, the macroscopic realism and the noninvasive measurability together lead to Leggett–Garg inequalities violated by quantum mechanics. We consider tests of the Leggett–Garg type with use of the q-entropies.For all q≥1, quantum mechanics predicts violations of an entire family of q-entropic inequalities of the Leggett–Garg type. Violations are exemplified with a quantum spin-s system. In general, entropic Leggett–Garg inequalities give only necessary conditions that some probabilistic model is compatible with the macrorealism in the broader sense. The presented q-entropic inequalities allow to widen a class of situations, in which an incompatibility with the macrorealism can be tested. In the considered example, both the strength and range of violations are somehow improved by varying q.We also examine q-entropic inequalities of the Leggett–Garg type in the case of detection inefficiencies, when the no-click event may occur in each observation. With the use of the q-entropic inequalities, the required amount of efficiency may be reduced.     

Electrohydrodynamic behaviors of droplet under a uniform direct current electric field

The electrohydrodynamic behaviors and evolution processes of silicone oil droplet in castor oil under uniform direct current(DC)electric field are visually observed based on a high-speed microscopic platform.Subsequently,the effects of different working conditions,such as electric field strength,droplet size,etc.,on droplet behaviors are roundly discussed.It can be found that there are four droplet behavior modes,including Taylor deformation,typical oblique rotation,periodic oscillation,and fracture,which change with the increase of electric field strength.It is also demonstrated that the degree of flat ellipse deformation gets larger under a stronger electric field.Moreover,both of the stronger electric field and smaller droplet size lead to an increase in the rotation angle of the droplet.     

Generalized chaos synchronization of a weighted complex network with different nodes

This paper proposes a method of realizing generalized chaos synchronization of a weighted complex network with different nodes. Chaotic systems with diverse structures are taken as the nodes of the complex dynamical network, the nonlinear terms of the systems are taken as coupling functions, and the relations among the nodes are built through weighted connections. The structure of the coupling functions between the connected nodes is obtained based on Lyapunov stability theory. A complex network with nodes of Lorenz system, Coullet system, Rõssler system and the New system is taken as an example for simulation study and the results show that generalized chaos synchronization exists in the whole weighted complex network with different nodes when the coupling strength among the nodes is given with any weight value. The method can be used in realizing generalized chaos synchronization of a weighted complex network with different nodes. Furthermore, both the weight value of the coupling strength among the nodes and the number of the nodes have no effect on the stability of synchronization in the whole complex network.