Coherent electron transport in a helical nanotube

The quantum dynamics of carriers bound to helical tube surfaces is investigated in a thin-layer quantization scheme. By numerically solving the open-boundary Schrödinger equation in curvilinear coordinates, geometric effect on the coherent transmission spectra is analysed in the case of single propagating mode as well as multimode. It is shown that, the coiling endows the helical nanotube with different transport properties from a bent cylindrical surface. Fano resonance appears as a purely geometric effect in the conductance, the corresponding energy of quasibound state is obviously influenced by the torsion and length of the nanotube. We also find new plateaus in the conductance. The transport of double-degenerate mode in this geometry is reminiscent of the Zeeman coupling between the magnetic field and spin angular momentum in quasi-one-dimensional structure.     

Edge states at the interface between monolayer and bilayer graphene

The electronic properties for monolayer-bilayer hybrid graphene with zigzag interface are studied by both the Dirac equation and numerical calculation in zero field and in a magnetic field. Basically there are two types of zigzag interface dependent on the way of lattice stacking at the edge. Our study shows they have different locations of the localized edge states. Accordingly, the energy-momentum dispersion and local density of states behave quit differently along the interface near the Fermi energy EF=0.     

Reconstructing the relaxation dynamics induced by an unknown heat bath

In quantum state tomography, one potential source of error is uncontrolled contact of the system with a heat bath whose detailed properties are not known, and whose impact on the system moreover varies between different runs of the experiment. Precisely these variations provide a handle for reconstructing the system?s effective relaxation dynamics. I propose a pertinent estimation scheme which is based on a steepest-descent ansatz and maximum likelihood. After reconstructing the relaxation dynamics, the original quantum state of the system can be constrained to a curve in state space.     

Half-metallic properties in rocksalt and zinc-blende M N (M=Na, K): A first-principles study

Pseudopotentials and plane-wave basis set method is used to investigate the electronic structure and magnetic properties for state-of-the-art zinc-blende and rocksalt M N (M=K, Na) alloys. We find that these compounds exhibit half-metallic characters with an integer magnetic moment of 2.00μ_B. The half-metallic properties result from a fully spin-polarization of s and p states. The origin of energy gap mainly comes from the hybridization both s and p states. Total energies calculations indicate the rocksalt phase is lower in energy than the zinc-blende one. The difference of total energy are about 0.035 Ry per formula unit for KN and NaN, respectively. For these compounds, Slater-Pauling curve M_t=(Z_t−4) (in μ_B unit) is obeyed between valence electrons and total magnetic moment. Meanwhile, we also find the preservation of half metallic characters when the lattice parameter is moderate compressed.     

氮气在100 eV以下的绝对振子强度密度

在入射电子能量为2500 eV、能量分辨为100 meV的条件下，得到了氮气在100 eV以下的绝对光学振子强度密度和广义振子强度密度；得到了23 eV和31.4 eV两个超激发态的绝对广义振子强度、并讨论了它们的动量转移依赖特性。     

Pressure dissociation of dense hydrogen

The self-consistent fluid variational model （SFVM） has been used to describe the pressure dissociation of dense hydrogen at high temperatures. This paper focuses on a mixture of hydrogen atoms and molecules and is devoted to the study of the phenomenon of pressure dissociation at finite temperatures. The equation of state and dissociation degree have been calculated from the free energy functions in the range of temperature 2000-10,000K and density 0.02-1.0g/cm^3, which can be compared with other approaches and experiments. The pressure dissociation is found to occur in higher density range, while temperature dissociation is a more gradual effect.     

CPA方程计算醇+卤代烃体系气液相平衡

醇+卤代烃混合体系,尤其是乙醇、三氟乙醇(TFE)等与卤代烃的混合工质在吸收式制冷、热泵、蒸气动力循环等领域中有着重要的应用.CPA方程可以描述缔合流体的性质,用于含醇类组元的混合体系气液相平衡性质描述.本文首先从纯物质饱和性质实验数据回归得到了CPA方程参数;将CPA方程应用于醇+卤代烃混合体系的气液相平衡计算,采用并比较了2种缔合方案;比较了CPA方程与G~E-EoS模型的相平衡计算效果.CPA状态方程在揭示分子间相互作用的基础上可准确描述醇+卤代烃混合体系的气液相平衡性质.     

通过绝热过程制备W态

提出一种方案制备W态,方案基于暗态绝热过程.制备过程中,所有原子都处于基态,光纤模保持在真空态,在一定条件下可以忽略腔场激发,因此,方案非常抗消相干.方案的另一个优点是:只要满足绝热条件,不必要精确调节相互作用时间.方案成功的几率随原子数的增加而增加.     

链间耦合对聚合物中双激子态反向极化的影响

从紧束缚模型出发，研究了链间相互作用对双激子态反向极化的影响.结果发现：加链间耦合后，双激子态仍主要局域在一条链中.当简并破缺较小时，反向极化程度随耦合强度的增加大幅提高；当简并破缺较大时，反向极化程度随耦合强度的增加基本不变. 关键词： 反向极化 双激子态 链间耦合