Theoretical prediction on vibrational spectra of [Ar...Ar-H]<Superscript>+</Superscript>

Centrosymmetric linear [Ar-H-Ar]⁺ and asymmetric linear [Ar---Ar-H]⁺ are two stable configurations of [Ar₂H]⁺. Based on the global potential energy surface of [Ar₂H]⁺ provided by our group recently, we calculated the vibrational spectra of [Ar---Ar-H]⁺ with total angular momentum J = 0 by time-dependent quantum mechanical method, and the influence of quantum tunneling effect on vibrational spectra was found. With the help of the observation on the eigenstate functions and the modified potential energy surface, assignments were made to the spectra. The strong coupling between the excited bending mode of [Ar-H-Ar]⁺ and the vibrational states of [Ar---Ar-H]⁺ was discussed.     

磁性隧道结自旋极化电子的隧穿特性

铁磁金属间通过中间层的自旋极化电子隧穿产生的磁性耦合,在自旋电子器件中有许多潜在的应用.考虑由一平面磁性势垒层隔开的两铁磁性金属电极构成的磁性隧道结,针对中间层形成的矩形势垒,在近自由电子模型的基础上,计算零偏压下的隧穿电导、自旋极化率和隧穿磁阻比率,分析势垒层特性、分子场强弱、分子场相对取向等对隧道结自旋极化电子隧穿特性的影响.计算结果对自旋电子器件的设计具有一定的指导意义.     

Ir(111)表面石墨烯中缺陷的原子结构确认

识别和解析石墨烯中缺陷的精确原子结构是研究不同类型缺陷的物化特性,实现石墨烯物性调控的前提,可以为在原子尺度研究石墨烯缺陷的构效关系提供重要的实验依据.本文结合扫描隧道显微镜(STM)和原子力显微镜(AFM)确认了在Ir(111)表面生长的石墨烯中自发形成的缺陷,以及通过离子轰击方法在石墨烯中引入的多种缺陷结构,包括单空位缺陷、非六元环拓扑结构以及石墨烯层下的基底缺陷.     

电子自旋共振扫描隧道显微镜

单电子自旋极有可能发展成为未来信息学的基础。以电子自旋为核心的新型单分子或单原子器件将最终成为基本信息单元,基于单电子的自旋态将有可能构筑未来量子计算机的量子比特。但是,如何实现对单个电子自旋及其相干态和纠缠态的测量和控制,目前仍然是一个很大的挑战。作为调控单个电子自旋的重要实验手段,电子自旋共振扫描隧道显微镜的发展一直备受关注。文章简要介绍了电子自旋共振扫描隧道显微镜的基本概念,阐述了其发展历史和最新进展,归纳了机理探索的研究成果,论述了该设备研发面临的挑战与对策,并对未来的发展和应用做了展望。     

Gamow Temperature in Tsallis and Kaniadakis Statistics

Relying on the quantum tunnelling concept and Maxwell–Boltzmann–Gibbs statistics, Gamow shows that the star-burning process happens at temperatures comparable to a critical value, called the Gamow temperature (T) and less than the prediction of the classical framework. In order to highlight the role of the equipartition theorem in the Gamow argument, a thermal length scale is defined, and then the effects of non-extensivity on the Gamow temperature have been investigated by focusing on the Tsallis and Kaniadakis statistics. The results attest that while the Gamow temperature decreases in the framework of Kaniadakis statistics, it can be bigger or smaller than T when Tsallis statistics are employed.     

Successive Deprotonation Steering the Structural Evolution of Supramolecular Assemblies on Ag(111)

In this study, we demonstrate the structural evolution of a two-dimensional (2D) supramolecular assembly system, which is steered by the thermally activated deprotonation of the primary organic building blocks on a Ag(111) surface. Scanning tunneling microscopy revealed that a variety of structures, featuring distinct structural, chiral, and intermolecular bonding characters, emerged with the gradual thermal treatments. According to our structural analysis, in combination with density function theory calculations, the structural evolution can be attributed to the successive deprotonation of the organic building blocks due to the inductive effect. Our finding offers a facile strategy towards controlling the supramolecular assembly pathways and provides a comprehensive understanding of the 2D crystal engineering on surfaces.     

拓扑绝缘体薄膜和有限尺寸效应

拓扑绝缘体是近年来发现的一类新的量子材料,已成为凝聚态物理的研究热点领域.厚度仅几纳米的拓扑绝缘体薄膜不但具有奇特的物理性质,而且还是拓扑绝缘体应用于平面器件的基础.文章以Bi2Se3为例,介绍了Bi2Se3家族拓扑绝缘体薄膜的分子束外延生长以及其能带、自旋结构和拓扑性质随层厚的演化.这些结果为人工调控拓扑绝缘体的电子结构和物理性质提供了指导.     

Quantum dot resonant tunneling FET on graphene

At this paper a field effect transistor based on graphene nanoribbon (GNR) is modeled. Like in most GNR-FETs the GNR is chosen to be semiconductor with a gap, through which the current passes at on state of the device. The regions at the two ends of GNR are highly n-type doped and play the role of metallic reservoirs so called source and drain contacts. Two dielectric layers are placed on top and bottom of the GNR and a metallic gate is located on its top above the channel region. At this paper it is assumed that the gate length is less than the channel length so that the two ends of the channel region are un-gated. As a result of this geometry, the two un-gated regions of channel act as quantum barriers between channel and the contacts. By applying gate voltage, discrete energy levels are generated in channel and resonant tunneling transport occurs via these levels. By solving the NEGF and 3D Poisson equations self consistently, we have obtained electron density, potential profile and current. The current variations with the gate voltage give rise to negative transconductance.     

Application of a Laplace Transform Method to the Study of Binary Mixtures of Spherical and Rod-Like Particles for Low Intensity Levels.

A Laplace Transform (LT) method is used to improve the results obtained in a quasi-elastic scattering (QELS) experiment. This is designed to determine the characteristic parameters of a bimodal solution of spherical and rod-like macromolecules. The theoretical study and the experimental simulation are carried out for low light levels and the results show that the LT technique provides a real alternative to the second order correlation function, g⁽²⁾(τ), in QELS measurements for these particularly difficult experimental conditions.