一维纳米体系的电子结构

建立了一维纳米随机链模型,在计及近邻、次近邻相互作用情况下,采用新的方法计算了链长从1×104～1×105个原子系统的电子本征值和本征矢.针对晶界原子畸变和晶粒大小等物理量,讨论了一维纳米体系的电子结构.研究结果表明,晶界原子畸变和晶粒尺寸对其电子结构有重要影响.由于晶界原子对电子的散射作用,电子波函数出现局域化.晶界原子畸变越大,晶粒尺寸越小,散射作用越明显.晶界原子畸变参数W由0.2增加到1时,电子波函数由扩展态变为局域态;晶粒尺寸变小时,电子波函数对称性变差,电子趋向局域分布.随着晶界原子畸变程度的增大和晶粒尺寸的减小,局域化程度不断加强.     

准一维无序体系电子局域化及输运特性

在单电子紧束缚近似下,利用多对角全随机厄米矩阵算法,结合负本征值理论和无限阶微扰理论及传输矩阵方法,研究准一维多链无序体系中电子波函数局域化特性及其电子输运特性。研究结果表明:由于格点能量无序,准一维多链无序体系电子波函数呈现出局域化特性;格点能量无序度减小会导致在中间能区发生退局域化现象,表现为在中间能区电子波函数的局域长度大于体系格点数,即出现扩展态,且出现扩展态的能量区间随着无序度的减小而增大的趋势;同时,随着链数的增加,体系有向退局域化方向发展的趋势;在中间能区电子输运透射系数较大,而在低能区及高能区透射系数较小,同时,格点能量无序与维度效应对体系的电子输运存在竞争效应,当体系格点数及链数一定时,体系的透射系数随着格点能量无序度的增大而减小,而当体系格点数及格点能量无序度一定时,准一维多链无序体系的透射系数随着体系链数的增大而增大。     

一维无序体系的振动局域态

 应用点阵动力学的方法以及五对角对阵矩阵本征矢算法,考虑原子间次近邻相互作用,计算了一维无序体系的振动本征态的分布.结果表明与电子本征态分布一样,无序体系的声子态分布也具有局域性,且局域程度与本征频率的大小、体系无序程度以及系统大小有密切的关系.     

二维无序系统无序度和本征能量对局域化长度的影响

利用蒙特卡洛模拟方法,研究了无序度和本征能量对局域化长度的影响.研究结果表明:随着无序度的增大,系统的电子态出现局域化现象,局域化长度逐渐减小,而且对应于不同的能量本征值;电子的局域化程度不同,能带中心出现准扩展态,系统内部出现类金属行为.     

二维无序系统的电子性质

用改进了的 Recursion 方法研究二维无序系统的电子性质。计算了二维无序系统的电子态密度、迁移率边界、局域化临界点以及直流电导率。结果表明,与对角无序系统相比,对角及非对角无序系统以及存在次近邻跳跃的系统局域性质均发生变化,非对角无序的影响取决于其大小,而次近邻跳跃的存在总是使电子态趋于延展。     

一维无序系统电子结构

本文应用负本征值理论方法,计算了含有上万个粒子的一维无序系统的电子态密度,针对无序程度和系统大小等物理量,讨论了无序系统的电子结构。结果表明,随着无序程度的变大,电子的局域化程度加强,而随着无序系统的变大,局域化的电子数增多。     

无序对一维费米气体的影响

计算了开边界,均匀系统和有谐振势存在的条件下,一维费米气体的态密度和密度分布,并对干净系统,在位能无序系统和跳跃能无序系统的结果进行比较。从态密度与密度分布的数值计算结果表明：无序使系统趋向于局域化。     

无序和斐波那契序列的二进制波导阵列的安德森局域研究

为了研究相关性对电磁波的安德森局域现象的影响,该文根据无序序列构造了无序一维二进制波导阵列结构、根据斐波那契序列构造了准周期一维二进制波导阵列结构。利用分析转移矩阵方法分别计算了上述2种结构中横电模式的透过率、局域长度和电场的空间分布,并利用一维矩形微波波导进行了相关的实验。根据无序序列构造的无序二进制波导阵列结构的透射共振峰与周期性结构一一对应,位于带边的模式首先转为局域态;根据斐波那契序列构造的准周期二进制波导阵列结构的传输特性与组成阵列的具体单元结构无关,电磁场能量通过分布在空间中不同位置的局域态之间的耦合传输形成离散的传输态。     

准一维系统中Lyapunov指数的性质?

建立了Anderson模型的传输矩阵,并采用传输矩阵法求解了准一维系统中的Lyapuov指数(LE),LE与电子局域化长度成反比,LE很好地描述了电子的局域化性质.通过计算SPS理论中的τ值,研究了在一维系统中成立的标度方程是否适用于准一维系统.本文还给出了多条链中不同通道的LE之间关联的计算方法,计算了2个通道和3个通道之间关联随着系统无序度的变化情况.     

无序反射下分离时间量子行走的纠缠特性研究

文章以一维有限长格点线上的分离时间量子行走为对象,考虑反射边界效应,并通过静态和动态两种方式随机地断开相邻格点间的连接边引入无序效应,研究了局域和非局域两种不同初态下,无序效应对量子行走位置自由度和硬币自由度之间纠缠的影响。对于非局域初态,静态无序和动态无序都能够增强纠缠,而对于局域初态,只有动态无序可以增强纠缠。不管无序强度多大,动态无序都会使得纠缠在长时间极限下趋于最大纠缠。     

无序材料直流电导中的无序作用机理

在单电子紧束缚无序模型基础上，建立一维无序材料电子跳跃输运直流电导率计算模型，并推导其直流电导率计算公式；通过计算材料的直流电导率，分析不同无序形式下无序度对材料直流电导率的影响，探讨无序在材料电子输运中的本质作用。计算结果表明，在对角无序情况下，无序材料的直流电导率随着无序度的增加而减小；当无序度较小时，电导率随材料无序度的变化有振荡行为；非对角无序材料的电导率小于对角无序材料的电导率，同时，在无序度较小的区域，材料的电导率呈现先增大后减小的特性；完全无序材料的电导率大于非对角无序材料的电导率而小于对角无序材料的电导率，且在完全无序情况下材料的电导率随无序度的变化关系与非对角无序情况下电导率随无序度的变化关系很相似；在无序度较大时，无论是对角无序、非对角无序还是完全无序情况下，无序度对电导率的影响均不明显。     

Anderson localization of a non-interacting Bose-Einstein condensate

Anderson localization of waves in disordered media was originally predicted fifty years ago, in the context of transport of electrons in crystals. The phenomenon is much more general and has been observed in a variety of systems, including light waves. However, Anderson localization has not been observed directly for matter waves. Owing to the high degree of control over most of the system parameters (in particular the interaction strength), ultracold atoms offer opportunities for the study of disorder-induced localization. Here we use a non-interacting Bose-Einstein condensate to study Anderson localization. The experiment is performed with a one-dimensional quasi-periodic lattice-a system that features a crossover between extended and exponentially localized states, as in the case of purely random disorder in higher dimensions. Localization is clearly demonstrated through investigations of the transport properties and spatial and momentum distributions. We characterize the crossover, finding that the critical disorder strength scales with the tunnelling energy of the atoms in the lattice. This controllable system may be used to investigate the interplay of disorder and interaction (ref. 7 and references therein), and to explore exotic quantum phases.     

磷掺杂半导体单壁碳纳米管电子结构的第一性原理研究

采用基于密度泛函理论的第一性原理,研究了掺磷(P)单壁碳纳米管(SWCNT)的电子结构性质.结果表明,引入掺杂原子可显著改变SWCNT费米能级附近的能带结构,掺杂SWCNT的电子态密度(DOS)向低能端移动,其最高分子占据轨道(HOMO)与最低分子非占据轨道(LUMO)间的能隙减小,掺杂的磷原子比碳原子多出的电子更容易从价带向导带跃迁.     

Direct observation of Anderson localization of matter waves in a controlled disorder

In 1958, Anderson predicted the localization of electronic wavefunctions in disordered crystals and the resulting absence of diffusion. It is now recognized that Anderson localization is ubiquitous in wave physics because it originates from the interference between multiple scattering paths. Experimentally, localization has been reported for light waves, microwaves, sound waves and electron gases. However, there has been no direct observation of exponential spatial localization of matter waves of any type. Here we observe exponential localization of a Bose-Einstein condensate released into a one-dimensional waveguide in the presence of a controlled disorder created by laser speckle. We operate in a regime of pure Anderson localization, that is, with weak disorder-such that localization results from many quantum reflections of low amplitude-and an atomic density low enough to render interactions negligible. We directly image the atomic density profiles as a function of time, and find that weak disorder can stop the expansion and lead to the formation of a stationary, exponentially localized wavefunction-a direct signature of Anderson localization. We extract the localization length by fitting the exponential wings of the profiles, and compare it to theoretical calculations. The power spectrum of the one-dimensional speckle potentials has a high spatial frequency cutoff, causing exponential localization to occur only when the de Broglie wavelengths of the atoms in the expanding condensate are greater than an effective mobility edge corresponding to that cutoff. In the opposite case, we find that the density profiles decay algebraically, as predicted in ref. 13. The method presented here can be extended to localization of atomic quantum gases in higher dimensions, and with controlled interactions.     

Coherence incoherence and dimensional crossover in layered strongly correlated metals

The properties of an interacting electron system depend on the electron correlations and the effective dimensionality. For example, Coulomb repulsion between electrons may inhibit, or completely block, conduction by intersite electron hopping, thereby determining whether a material is a metal or an insulator. Furthermore, correlation effects increase as the number of effective dimensions decreases; in three-dimensional systems, the low-energy electronic states behave as quasiparticles, whereas in one-dimensional systems, even weak interactions break the quasiparticles into collective excitations. Dimensionality is particularly important for exotic low-dimensional materials where one- or two-dimensional building blocks are loosely connected into a three-dimensional whole. Here we examine two such layered metallic systems with angle-resolved photoemission spectroscopy and electronic transport measurements, and we find a crossover in the number of effective dimensions from two to three with decreasing temperature. This is apparent from the observation that, in the direction perpendicular to the layers, the materials have an insulating character at high temperatures but become metal-like at low temperatures, whereas transport within the layers remains metallic over the whole temperature range. We propose that this change in effective dimensionality correlates with the presence of coherent quasiparticles within the layers.     

材料的电输运性质与电子高能级分布研究

讨论了孤立原子、块状材料、薄膜材料、纳米材料的电子高能态分布的特点及其产生这种特点的原因.指出,由于原子物理学学科分工的特点,没有讨论孤立原子的核外电子的能级分布与温度的关系(也无法讨论);而块状材料和薄膜材料的电子高能态之所以分布在表面上,是与其形状有关的,原因在于表面上存在着缺陷原子,而这些缺陷原子周围存在着悬空键,块状材料和薄膜材料的电子能态分布是连续的,这种连续性是由块状材料和薄膜材料单位体积里包含大量的原子造成的;纳米材料的电子能态是不连续的,这种不连续性是由于纳米颗粒本身包含有限的原子个数造成的.同时定性地解释了稳恒电流无趋肤效应而交流电和超导电流产生趋肤效应的物理原因.