Electronic structure effects on stability and quantum conductance in 2D gold nanowires

In this study, we have investigated the stability and conductivity of unsupported, two-dimensional infinite gold nanowires using ab initio density functional theory (DFT). Two-dimensional ribbon-like nanowires with 1–5 rows of gold atoms in the non-periodic direction and with different possible structures have been considered. The nanowires with >2 rows of atoms exhibit dimerization, similar to finite wires, along the non-periodic direction. Our results show that in these zero thickness nanowires, the parallelogram motif is the most stable. A comparison between parallelogram- and rectangular-shaped nanowires of increasing width indicates that zero thickness (111) oriented wires have a higher stability over (100). A detailed analysis of the electronic structure, reveals that the (111) oriented structures show increased delocalization of s and p electrons in addition to a stronger delocalization of the d electrons and hence are the most stable. The density of states show that the nanowires are metallic and conducting except for the double zigzag structure, which is semiconducting. Conductance calculations show transmission for a wide range of energies in all the stable nanowires with more than two rows of atoms. The conductance channels are not purely s and have strong contributions from the d levels, and weak contributions from the p levels.     

Arrays of microscopic magnetic traps for cold atoms and their applications in atom optics

A single microscopic magnetic trap for neutral atoms using planar current-carrying wires was proposed and studied theoretically by Weinstein et al.In this paper,we propose three structures of composite current-carrying wires to provide 1D,2D and 3D arrays of microscopic magnetic traps for cold alkali atoms.The spatial distributions of magnetic fields generated by these structures are calculated and the field gradient and curvature in each single microtrap are analysed.Our study shows that arrays of microscopic magnetic traps can be used to provide 1D,2D or 3D atomic magnetic lattices,and even to realize 1D,2D and 3D arrays of magneto-optical traps,and so on.     

The superspin approach to a disordered quantum wire in the chiral-unitary symmetry class with an arbitrary number of channels

We use a superspin Hamiltonian defined on an infinite-dimensional Fock space with positive definite scalar product to study localization and delocalization of noninteracting spinless quasiparticles in quasi-one-dimensional quantum wires perturbed by weak quenched disorder. Past works using this approach have considered a single chain. Here, we extend the formalism to treat a quasi-one-dimensional system: a quantum wire with an arbitrary number of channels coupled by random hopping amplitudes. The computations are carried out explicitly for the case of a chiral quasi-one-dimensional wire with broken time-reversal symmetry (chiral-unitary symmetry class). By treating the space direction along the chains as imaginary time, the effects of the disorder are encoded in the time evolution induced by a single site superspin (non-Hermitian) Hamiltonian. We obtain the density of states near the band center of an infinitely long quantum wire. Our results agree with those based on the Dorokhov–Mello–Pereyra–Kumar equation for the chiral-unitary symmetry class.     

Electron transport in stretched monoatomic gold wires

The conductance of monoatomic gold wires containing 3-7 gold atoms has been obtained from ab initio calculations. The transmission is found to vary significantly depending on the wire stretching and the number of incorporated atoms. Such oscillations are determined by the electronic structure of the one-dimensional (1D) part of the wire between the contacts. Our results indicate that the conductivity of 1D wires can be suppressed without breaking the contact.     

Microwave-induced dephasing in one-dimensional metal wires

We report on the effect of monochromatic microwave (MW) radiation on the weak-localization corrections to the conductivity of quasi-one-dimensional silver wires. Because of the improved electron cooling in the wires, the MW-induced dephasing is observed without a concomitant overheating of electrons over wide ranges of the MW power P(MW) and frequency f. The observed dependences of the conductivity and MW-induced dephasing rate on P(MW) and f are in agreement with the theory by Altshuler, Aronov, and Khmelnitsky [Solid State Commun. 39, 619 (1981)]. Our results suggest that in the low-temperature experiments with 1D wires, saturation of the temperature dependence of the dephasing time can be caused by an MW electromagnetic noise with a sub-pW power.     

Detection of local-moment formation using the resonant interaction between coupled quantum wires

We study the influence of many-body interactions on the transport characteristics of a pair of quantum wires that are coupled to each other by means of a quantum dot. Under conditions where a local magnetic moment is formed in one of the wires, tunnel coupling to the other gives rise to an associated peak in its density of states, which can be detected directly in a conductance measurement. Our theory is therefore able to account for the key observations in the recent study of T. Morimoto et al. [Appl. Phys. Lett., ()]], and demonstrates that coupled quantum wires may be used as a system for the detection of local magnetic-moment formation.     

4氢-吡喃-4-硫酮1(n-π*),1Ag-(π→π*)和1Bu+(π→π*)等的激发态特征

理论上4氢-吡喃-4-硫酮的激发态特征用量子化学方法以及二维实空间分析法和三维立体实空间分析法加以研究.理论上的结果揭示1(n→π*)和1Ag-(π→π*)激发态是分子内电荷转移(ICT)激发态,而1Bu (π→π*)激发态是离域激发态.它们的跃迁偶极矩的强度和方向用三维密度跃迁(TD)加以解释,用三维电荷密度差(CDD)观察分子间电荷转移(ICT)的激发态特征或局部激发态特征.用二维实空间分析法研究电子.空穴相关性,离域化和激子的尺寸.     

Direct evidence for quantum contact resistance effects in V-groove quantum wires

The effect of quantum contact resistance on one-dimensional (1D) electrical conductance was investigated in quantum wires (QWR) realized with V-shaped GaAs/AlGaAs heterostructure. The transition length between the electron reservoir and the QWR was controlled by employing an electric field. The required transition length is found to decrease with increasing overlap between the 2D states in the reservoir and the 1D states in the QWR.     

Topological aspects of quantum chaos

Quantized classically chaotic maps on a toroidal two-dimensional phase space are studied. A discrete, topological criterion for phase-space localization is presented. To each eigenfunction is associated an integer, analogous to a quantized Hall conductivity, which tests the way the eigenfunction explores the phase space as some boundary conditions are changed. The correspondence between delocalization and chaotic classical dynamics is discussed, as well as the role of degeneracies of the eigenspectrum in the transition from localized to delocalized states. The general results are illustrated with a particular model.     

4氢-吡喃-4-硫酮~1(n→π*),~1A_g~-(π→π*)和~1B_u~+(π→π*)等的激发态特征(英文)

理论上4氢-吡喃-4-硫酮的激发态特征用量子化学方法以及二维实空间分析法和三维立体实空间分析法加以研究.理论上的结果揭示^1（n→π^＊）和^1Ag^-（π→π^＊）激发态是分子内电荷转移（ICT）激发态,而^1Bu^＋（π→π^＊）激发态是离域激发态.它们的跃迁偶极矩的强度和方向用三维密度跃迁（TD）加以解释,用三维电荷密度差（CDD）观察分子间电荷转移（ICT）的激发态特征或局部激发态特征.用二维实空间分析法研究电子-空穴相关性,离域化和激子的尺寸.     

Quasiclassical approach to impurity effect on magnetooscillations in 2D metals

We develop a quasiclassical method based on the path integral formalism, to study the influence of disorder on magnetooscillations of the density of states and conductivity. The treatment is appropriate for electron systems in the presence of a random potential with large correlation length or a random magnetic field, which are characteristic features of various 2D electronic systems presently studied in experiment. In particular, we study the system of composite fermions in the fractional quantum Hall effect device, which are coupled to the Chem-Simons field and subject to a long-range random potential.     

Exciton trapping, binding and diamagnetic shift in T-shaped quantum wires

We determine the exciton states of T-shaped quantum wires. We use anisotropic effective-mass models to describe the electron and hole states. Pair correlation along the wire axis and in the lateral directions is included. We accurately model the measured redshifts between exciton photoluminescence in quantum wells and T-shaped wires. This redshift arises from enhanced exciton binding and the difference between well and wire confinement energy. We predict a large enhancement of binding energy only when lateral correlation is included, indicating that T-shaped wires arequasirather thanquantum1D wires. We calculate exciton shapes and diamagnetic shifts to determine how the exciton is distorted when confined in a T-wire.     

Raman scattering and hot luminescence spectra of Zn1 − x Mn x Te quantum wires

The Raman scattering and luminescence spectra of Zn_{1 − x} Mn _x Te (0 ≤ x ≤ 0.6) quantum wires have been investigated. The quantum wires have been grown by molecular-beam epitaxy on the (100)GaAs substrate with Au used as a catalyst. The spectrum of optical phonons in ZnMnTe quantum wires varies with a variation in x in accordance with an intermediate (between one- and two-mode) type of transformation. The optical phonon spectrum has been analyzed in terms of the microscopic theory. It has been demonstrated that the experimental data can be brought in accord with the theory by properly modifying the calculated density of phonon states for ZnTe. The spatial confinement has been found to affect the electronic states in Zn_{1 − x} Mn _x Te quantum wires.     

Quantum confinement between self-organized Pt nanowires on Ge(001)

The existence of one-dimensional (1D) electronic states between self-organized Pt nanowires spaced 1.6 or 2.4 nm apart on a Ge(001) surface is revealed by low-temperature scanning tunneling microscopy. These perfectly straight Pt nanowires act as barriers for a surface state (located just below the Fermi level) of the underlying terrace. The energy positions of the 1D electronic states are in good agreement with the energy levels of a quantum particle in a well. Spatial maps of the differential conductivity of the 1D electronic states conclusively reveal that these states are exclusively present in the troughs between the Pt nanowires.     

Gapless excitations in strongly fluctuating superconducting wires

We study the low-temperature tunneling density of states of thin wires where superconductivity is destroyed through quantum phase-slip proliferation. Although this regime is believed to behave as an insulator, we show that for a large temperature range this phase is characterized by a conductivity falling off at most linearly with temperature, and has a gapless excitation spectrum. This novel conducting phase results from electron-electron interaction induced pair breaking. Also, it may help clarify the low-temperature metallic features found in films and wires whose bulk realization is superconducting.     

Theoretical study on the effect of dopant positions and dopant density on transport properties of a BN co-doped SiC nanotube

We investigate the effect of dopant (boron ‘B’–nitrogen ‘N’) position and density on electronic transport properties of a BN co-doped silicon carbide nanotube (SiCNT). The results show an increase in conductance when both BN impurities are far in space from each other. Orbital delocalization and appearance of new electronic states around Fermi level contribute to the current when this spacing is increased. On the other hand, a reduction in SiCNT conductivity was observed when BN dopant density was increased. This is attributed to the electronic states moving away from the Fermi level and orbital localization at higher bias voltages.     

Explanation of atomic displacement around lattice vacancies in diamond based on electron delocalization

The relationship between unpaired electron delocalization and nearest-neighbor atomic relaxations in the vacancies of diamond has been determined in order to understand the microscopic reason behind the neighboring atomic relaxation. The Density Functional Theory (DFT) cluster method is applied to calculate the single-electron wavefunction of the vacancy in different charge states. Depending on the charge and spin state of the vacancies, at outward relaxations, 84-90% of the unpaired electron densities are localized on the first neighboring atoms. The calculated spin localizations on the first neighboring atoms in the ground state of the negatively charged vacancy and in the spin quintet excited state of the neutral vacancy are in good agreement with Electron Paramagnetic Resonance (EPR) measurements. The calculated spin localization of the positively charged vacancy contrasts with the tentative assignment of the NIRIM-3 EPR signal to this center in (p-type) semiconductor diamond. The sign of the lattice relaxation in the diamond vacancy is explained based on the effect of electron delocalization on nearest-neighbor ion-ion screening, and also its effect on the bond length of neighboring atoms.     

Magnetic anticrossing of 1D subbands in ballistic double quantum wires

We study the low-temperature in-plane magnetoconductance of vertically coupled double quantum wires. Using a novel flip-chip technique, the wires are defined by two pairs of mutually aligned split gates on opposite sides of a  ≤ 1 micron thick AlGaAs/GaAs double quantum well heterostructure. We observe quantized conductance steps due to each quantum well and demonstrate independent control of each 1D wire. A broad dip in the magnetoconductance at  ∼ 6 T is observed when a magnetic field is applied perpendicular to both the current and growth directions. This conductance dip is observed only when 1D subbands are populated in both the top and bottom constrictions. This data is consistent with a counting model whereby the number of subbands crossing the Fermi level changes with field due to the formation of an anticrossing in each pair of 1D subbands.     

标量算符本征值对g壳层LSQ耦合态的完全分类计算

按（Ｕ,Ｄ）Ｌ－ＬＳＱ格式构造ｌ壳层ＬＳＱ耦合态,这里Ｕ（Ｄ）是自旋向上（向下）电子的轨道角动量,Ｌ、Ｓ、Ｑ是总轨道角动量、总自旋和准旋。由４个产生－湮灭算符构造与轨道、自旋准旋算符均为易的标量算符并用基本征值对ＬＳＱ耦合态进上步分类,实现了对ｆ、ｇ壳层耦合态的完全分类,列出了ｇ壳层耦合态完全分类的主要结果。