Nonmagnetic impurity effects and neutron scattering spectrum in iron pnictides

We study the effect of local impurity and the neutron scattering spectrum based on the five-orbital model obtained by the first principle calculation for iron pnictides. We find that the interband impurity scattering is induced by the complex multiorbital structure. This fact means that the fully-gapped sign-reversing s-wave state, which is predicted by spin-fluctuation theories, is very fragile against impurities. The result suggests a reasonable possibility that the fully-gapped s-wave state without sign reversal (s₊₊-wave) would be realized in dirty iron pnictides. We also find that broad peak structure observed in the neutron scattering measurements can be explained by the s₊₊-wave state.     

Spin waves in the block checkerboard antiferromagnetic phase

Motivated by the discovery of a new family of 122 iron-based superconductors, we present the theoretical results on the ground state phase diagram, spin wave, and dynamic structure factor obtained from the extended J₁-J₂ Heisenberg model. In the reasonable physical parameter region of K₂Fe₄Se₅, we find that the block checkerboard antiferromagnetic order phase is stable. There are two acoustic spin wave branches and six optical spin wave branches in the block checkerboard antiferromagnetic phase, which have analytic expressions at the high-symmetry points. To further compare the experimental data on neutron scattering, we investigate the saddlepoint structure of the magnetic excitation spectrum and the inelastic neutron scattering pattern based on linear spin wave theory.     

正常金属-分子量子点-超导耦合系统的介观输运研究

运用非平衡格林函数理论、正则变换以及BCS平均场理论研究了正常金属-分子量子点-超导耦合系统（N-MQD-S）的介观输运,得到了系统的电流公式并选择适当的参数进行了数值计算。数值计算结果表明：电声子耦合强度 与线宽函数 对系统的输运行为有较大影响。当 增大时,由声子辅助隧穿所产生的共振峰将高于分子量子点自身能级产生的共振峰;当线宽函数 增大时,在Andreev反射共振峰的两侧将出现新的边峰。     

Poly‐l‐Lactic Acid Nanofiber–Polyamidoamine Hydrogel Composites: Preparation,Properties, and Preliminary Evaluation as Scaffolds for Human Pluripotent Stem Cell Culturing

Electrospun poly‐l ‐lactic acid (PLLA) nanofiber mats carrying surface amine groups, previously introduced by nitrogen atmospheric pressure nonequilibrium plasma, are embedded into aqueous solutions of oligomeric acrylamide‐end capped AGMA1, a biocompatible polyamidoamine with arg‐gly‐asp (RGD)‐reminiscent repeating units. The resultant mixture is finally cured giving PLLA‐AGMA1 hydrogel composites that absorb large amounts of water and, in the swollen state, are translucent, soft, and pliable, yet as strong as the parent PLLA mat. They do not split apart from each other when swollen in water and remain highly flexible and resistant, since the hydrogel portion is covalently grafted onto the PLLA nanofibers via the addition reaction of the surface amine groups to a part of the terminal acrylic double bonds of AGMA1 oligomers. Preliminary tested as scaffolds, the composites prove capable of maintaining short‐term undifferentiated cultures of human pluripotent stem cells in feeder‐free conditions.

     

Reduction of Chemical Reactions in Nitrogen and Nitrogen–Hydrogen Plasma Jets Flowing into Atmospheric Air

The large number of possible chemical reactions represents a severe burdenfor modeling of even relatively simple plasma systems. Reduced sets ofchemical reactions have been obtained for numerical simulations of nitrogenand nitrogen-hydrogen plasma jets flowing into an atmospheric airenvironment. The important or active reactions are determined based on asimplified reduction method. A reaction is considered active if it leadsto higher sensitivities than a specified cutoff sensitivity of 1%. Theactive reactions exert a significant influence on main plasma parameters,such as velocity, temperature, and species concentrations. The sensitivityanalysis for the specified systems shows that two NO reactions, known asZel'dovich reactions (N₂+ONO+N andNO+OO₂+N),⁽¹⁾ are both active in a nitrogenplasma jet. On the other hand, the latter is not active and may be omittedin a nitrogen–hydrogen plasma jet. A nitrogen–hydrogen plasmajet requires contribution of two active charge exchange reactions:N₂+N⁺N⁺ ₂+N andN+H+N+ +H, while only the former is needed in a nitrogen plasmajet. The dissociation reactions are all active in both plasma jets, exceptthe dissociation of OH.     

A theoretical investigation of the interaction between H,Li, Na,K, and fullerenes

We studied the interaction between H, Li, Na, and K with one and two C₆₀ molecules using unrestricted Hartree–Fock (UHF) methods. We investigated the effects of distances between the doping atoms and the C₆₀ clusters, total charges, interaction energies, stabilities, HOMO‐LUMO energy differences, charge distribution, and potential energy surfaces. The effect of each doping atom was analyzed and potential technological applications discussed. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

The Coordinate Reaction Model: An Obstacle to Interpreting the Emergence of Chemical Complexity

The way chemical transformations are described by models based on microscopic reversibility does not take into account the irreversibility of natural processes, and therefore, in complex chemical networks working in open systems, misunderstandings may arise about the origin and causes of the stability of non-equilibrium stationary states, and general constraints on evolution in systems that are far from equilibrium. In order to be correctly simulated and understood, the chemical behavior of complex systems requires time-dependent models, otherwise the irreversibility of natural phenomena is overlooked. Micro reversible models based on the reaction-coordinate model are time invariant and are therefore unable to explain the evolution of open dissipative systems. The important points necessary for improving the modeling and simulations of complex chemical systems are: a) understanding the physical potential related to the entropy production rate, which is in general an inexact differential of a state function, and b) the interpretation and application of the so-called general evolution criterion (GEC), which is the general thermodynamic constraint for the evolution of dissipative chemical systems.     

Effect of Oxygen Redistribution on the Normal and Superconducting Properties of Yttrium High‐Temperature Superconductors

An anomaly is found in the vicinity of T_max 560$ K on electric resistance versus temperature curves for yttrium hightemperature superconductors of the 123 phase. Xray phase analysis suggests a structural phase transition in the vicinity of T_max due to oxygen redistribution in the mobile sublattice of this compound. Investigation of samples with Y partially replaced by Ca has shown that the structural phase transition does not depend on carrier concentration in the conduction band.     

改进实验仪器测量Bi／Ag线材的超导转变温度

对实验室现有的仪器进行改进并测量了Bi／Ag高温超导线材的Tc，结果为104．1K。     

Superconductivity enhanced by d-density wave: A weak-coupling theory

Making a revision of mistakes in Ref. [19], we present a detailed study of the competition and interplay between the d-density wave (DDW) and d-wave superconductivity (DSC) within the fluctuation-exchange (FLEX) approximation for the two-dimensional (2D) Hubbard model. In order to stabilize the DDW state with respect to phase separation at lower dopings a small nearest-neighbor Coulomb repulsion is included within the Hartree-Fock approximation. We solve the coupled gap equations for the DDW, DSC, and π-pairing as the possible order parameters, which are caused by exchange of spin fluctuations, together with calculating the spin fluctuation pairing interaction self-consistently within the FLEX approximation. We show that even when nesting of the Fermi surface is perfect, as in a square lattice with only nearest-neighbor hopping, there is coexistence of DSC and DDW in a large region of dopings close to the quantum critical point (QCP) at which the DDW state vanishes. In particular, we find that in the presence of DDW order the superconducting transition temperature T_c can be much higher compared to pure superconductivity, since the pairing interaction is strongly enhanced due to the feedback effect on spin fluctuations of the DDW gap. π-pairing appears generically in the coexistence region, but its feedback on the other order parameters is very small. In the present work, we have developed a weak-coupling theory of the competition between DDW and DSC in 2D Hubbard model, using the static spin fluctuation obtained within FLEX approximation and ignoring the self-energy effect of spin fluctuations. For our model calculations in the weak-coupling limit we have taken U/t=3.4, since the antiferromagnetic instability occurs for higher values of U/t.