Full potential x-ray absorption calculations using time dependent density functional theory

We report the implementation of a fully relativistic time dependent density functional theory (TDDFT) method for carrying out x-ray absorption spectroscopy calculations for extended systems. This is the first time that a TDDFT simulation of x-ray absorption in extended systems has featured a full potential ground state calculation. We prove that this unusual feature of the TDDFT implementation unequivocally yields improvement over the previous muffin-tin calculation methods.     

Heterogeneous crystallization in colloids and complex plasmas: the role of binary mobilities

Both charged colloidal suspensions and complex (dusty) plasmas represent classical many-body strongly coupled Coulomb systems. Here we discuss their basic properties and focus on their heterogeneous crystallization from an undercooled melt. In particular, a model with different mobilities is proposed which is realizable in binary mixtures of charged particles. Within this binary-mobility model, the crystallization behaviour near a structured wall is explored by Brownian dynamics computer simulations. As a result, the propagation velocity of the crystal-fluid interface is a nonmonotonic function of the mobility ratio (if expressed in terms of an averaged mobility).     

Extrinsic electronic transport in La0.7(Sr,Ca)0.3MnO3 films deposited on step edges and bicrystal substrates

In this paper, the electronic transport of La(0.7)(Sr,Ca)(0.3)MnO(3) films grown by pulsed laser deposition on a LaAlO(3)(001) substrate with deep parallel structured steps and a 30° symmetric bicrystal SrTiO(3)(001) substrate have been discussed. The electronic transport properties have been related to the well-known extrinsic transport of bulk manganite compounds. The spin-glass-like behavior with a characteristic peak at 20 K and domain formation at the grain boundary is observed. Further, it has been quantified from the resonant tunneling model that mixed magnetic interactions play a significant role in the manganite films deposited on step edges.     

Intrinsic contribution to spin Hall and spin Nernst effects in a bilayer graphene

We consider intrinsic contributions to the spin Hall and spin Nernst effects in a bilayer graphene. The relevant electronic spectrum is obtained from the tight binding Hamiltonian, which also includes the intrinsic spin-orbit interaction. The corresponding spin Hall and spin Nernst conductivities are compared with those obtained from effective low-energy k ?p and reduced Hamiltonians, which are appropriate for states in the vicinity of the Fermi level of a neutral bilayer graphene. Both conductivities are determined within the linear response theory and Green function formalism. The influence of an external voltage between the two atomic sheets is also considered. The results reveal a transition from the topological spin Hall insulator phase at low voltages to conventional insulator phase at larger voltages.     

Coexistence of ergodicity and nonergodicity in LaFeO(3)-modified Bi(1/2)(Na(0.78)K(0.22))(1/2)TiO(3) relaxors

The effect of LaFeO(3) addition to Bi(1/2)(Na(0.78)K(0.22))(1/2)TiO(3) ceramics on the phase stability and macroscopic functional properties was investigated. Similarly to other chemical modifiers known in the literature, LaFeO(3) addition suppresses an electric-field-induced long-range ferroelectric order, giving rise to a giant unipolar strain of ～0.3% at 2?mol% LaFeO(3) addition. Time-dependent changes in polarization and strain hysteresis loops both during successive electrical cycling and after removal of the electric field suggest that a specimen with 2?mol% LaFeO(3) consists of both ergodic and nonergodic phases, which is unique among the known relaxor materials.     

Entanglement in a three spin system controlled by electric and magnetic fields

We study the effect of electric field and magnetic flux on spin entanglement in an artificial triangular molecule built of coherently coupled quantum dots. In a subspace of doublet states an explicit relation of concurrence with spin correlation functions and chirality is presented. The electric field modifies superexchange correlations and shifts many-electron levels (the Stark effect), as well as changing spin correlations. For some specific orientation of the electric field one can observe monogamy, for which one of the spins is separated from two others. Moreover, the Stark effect manifests itself in a different spin entanglement for small and strong electric fields. The role of magnetic flux is opposite: it leads to circulation of spin supercurrents and spin delocalization.     

Molecular Arrangement of a Bolaamphiphilic Anthrancene Derivative in Langmuir-Blodgett Film

Langmuir monolayer at the air/water interface is the basis to understand the molecular arrangement and to fabricate the organized molecular films1. Bolaamphiphiles describes the molecules in which two head functional groups are linked by one or two hydrophobic chains2,3. In comparison with the one-headed amphiphile, abundant configurations of Langmuir monolayer are expected in bolaamphiphiles. Generally, three kinds of configurations of the Langmuir monolayers of bolaamphiphile at the air/w…     

Crystal Structure, Energy Band and Optical Properties of Phosphate In（PO3）3

1 INTRODUCTION stand the chemical bonding properties and electronic origins of optical transition for solid In(PO3)3, the During the past decades, many indium phosphates crystal energy band and optical response functions have been reported and researched on their conduc- are also calculated. tivity anisotropy, band structure and optical proper- ties[1, . However, to our current knowledge, the com- 2] 2 EXPERIMENTALAND pounds containing alkaline-earth metals are rarely COMPUTATIO…     

MOSFET调制器的实验研究

 介绍了MOSFET调制器的基本原理,并对其并联分流和感应叠加两种开关结构进行了实验研究。基于可编辑逻辑器件设计了其触发电路,驱动电路采用高速MOSFET对管组成的推挽输出形式,加快了MOSFET的开关速度。利用Pspice软件对开关上有无剩余电流电路(RCD)两种情况进行仿真,结果表明,加装RCD电路可以有效吸收MOSFET在关断瞬间产生的反峰电压。实验中,电流波形用Pearson线圈测量,用3个MOSFET并联作开关,当电容充电电压为450 V,负载为30 Ω时,脉冲电流13 A,前沿20 ns,平顶约80 ns;用3个单元调制器感应叠加,当电容充电电压为450 A,负载为30 Ω时,脉冲电流强度为40 A,前沿25 ns,平顶约70 ns。