标志位频谱感知方法研究

文章提出了一种新的标志位频谱感知方法,主要由数据采集和频谱感知两部分组成.前者主要基于标准的压缩感知技术,研究了一种标志位数据采集方法,仅保留测量数据的标志位信息,从而减少了测量数据的存储量.后者基于一致恢复原理和共轭梯度算法来构造频谱感知算法.仿真结果表明,标志位频谱感知方法可以在降低数据采集量及存储量的同时完美获取原始信号的频谱信息.该方法可以应用于无线通信、电子对抗、智能吸波结构以及感知无线电的前端频谱测量设计阶段中. 关键词： 频谱感知 标志位压缩感知 智能吸波结构     

Effects of the image potential on electronic and impurity states in a quantum box

The effects of the image potential on electronic and hydrogenic impurity states in a quantum box are investigated using the variational approach. The results show that when the image potential is considered, the variations in ground electronic energy and impurity-binding energy are considerable, especially when the dimensions of quantum box become small. The results also show that the effects of impurity ion image potential on impurity-binding energy are much larger than those of electron image potential.     

Self-consistent electronic structure of quantum wells by invariant embedding method

A new approach based on the invariant embedding method for the self-consistent calculation of electronic structure of quantum wells is presented and is applied to both neutral quantum well and parabolic quantum well. Numerical results obtained for these structures agree very well with those of previous theoretical and experiment studies. The present approach is expected to lead to a more efficient and stable scheme for the calculation of electronic band structure of quantum structures. Realistic boundary conditions are naturally taken into account in the present calculation which provides a convenient way for studying boundary effects. Received 21 September     

Electronically excited cold ion crystals

The laser excitation of an ion crystal to high-lying and long-lived electronic states is a genuine many-body process even if in fact only a single ion is excited. This is a direct manifestation of the strong coupling between internal and external dynamics and becomes most apparent in the vicinity of a structural phase transition. Here we show that utilizing highly excited states offers a new approach to the coherent manipulation of ion crystals. This opens up a new route towards the creation of nonclassical motional states in a Paul trap and permits the study of quantum phenomena that rely on a strong coupling between electronic and vibrational dynamics.     

双量子点分子的电子结构

采用推广的LCAO方法和有限元方法计算了两个相同量子点组成的双量子点分子的电子结构,结果表明这种人造分子间的相互作用随两个量子点中心之间距离的变化可实现由共价键向离子键的转变.对于两个不同的量子点组成的双量子点分子,利用有限元方法计算了两个量子点中心之间距离、量子点受限势高度以及量子点半径对这种人造分子的电子结构的影响,定性地说明了Oosterkamp等人的实验现象. 关键词： 量子点分子 电子结构 共价键 离子键     

The electronic and optical properties of a triexciton in CdSe/ZnS core/shell quantum dot nanocrystals

In the study, we aim to investigate the electronic and optical properties of single excitons, biexcions and triexcitons in a CdSe/ZnS core/shell quantum dot nanocrystal. The electronic structure has been determined by solving of the Poisson–Schrödinger equations self-consistently. In calculations, the exchange-correlation effects between identical particles have been taken into account in the frame of the local density approximation. We have demonstrated that the optical properties of triexciton systems are remarkably different from the single and biexciton systems. Absorption peaks or transition energies of the triexciton system are well separated from those of single- and bi-exciton systems. We have observed that the core-radius dependent transition energy variations of triexcitons are higher when compared with single- and bi-excitonic systems. The transition energy shifts of double and triple excitons with respect to the single exciton have been calculated as a function of the core radius and we have shown that the energy shifts are inversely proportional with the radius. We have also investigated the radius-dependent changes in binding energies and lifetimes of the structures and the comparative results have been discussed in a detail manner.     

A detailed investigation of the electronic properties of a multi-layer spherical quantum dot with a parabolic confinement

In this work, we aim a detailed investigation of the electronic properties of a spherical multi-layer quantum dot with and without a hydrogenic impurity. The structure is introduced in the form of core/shell/well/shell layers. The core and well layers are defined by the parabolic electronic potentials. We carry out the effect of the core radius and layer thickness on the energy levels, their wave functions, binding energies of the impurity and the probability distributions. In order to determine the sublevel eigenvalues and eigenfunctions, the Schrödinger equation is solved full numerically by shooting method in the frame of the effective mass approximation. The results are analyzed in detail as a function of the layer thicknesses and their probable physical reasons are tried to be explained. It is found that the electronic properties and impurity binding energies are strongly depending on the layer thicknesses.     

Spectroscopic properties of the molecular ions BeX+ (X=Na,K, Rb): forming cold molecular ions from an ion–atom mixture by stimulated Raman adiabatic process

In this theoretical work, we calculate potential energy curves, spectroscopic parameters and transition dipole moments of molecular ions BeX⁺ (X=Na, K, Rb) composed of alkaline ion Be and alkali atom X with a quantum chemistry approach based on the pseudopotential model, Gaussian basis sets, effective core polarisation potentials and full configuration interaction. We study in detail collisions of the alkaline ion and alkali atom in quantum regime. Besides, we study the possibility of the formation of molecular ions from the ion–atom colliding systems by stimulated Raman adiabatic process and discuss the parameters regime under which the population transfer is feasible. Our results are important for ion–atom cold collisions and experimental realisation of cold molecular ion formation.     

ZnO@GQDs核壳结构量子点的制备及性能研究

采用原位聚合法制备了以ZnO量子点为核、石墨烯量子点（GQDs）为壳的ZnO@ GQDs核壳结构量子点。通过TEM和HR-TEM对量子点进行形貌和结构的分析表征。结果表明,合成的ZnO@ GQDs核壳结构量子点为球形,粒径为～7 nm,且尺寸均匀。PL光谱研究表明,新型量子点的发射峰位于369 nm,发光峰窄、强度高;相对于ZnO的本征发射峰,GQDs的引入使得ZnO@GQDs核壳量子点的荧光发射峰出现蓝移、强度变高,从而使复合量子点的荧光具有较纯的色度和较高的强度,说明GQDs的引入具有协同优化效应。该量子点有望应用于LED显示器件。     

利用电子结构数据拟合H2分子的电子壳模型势函数参数

电子壳模型势函数在离子晶体的原子级计算机模拟中有广泛应用,其势参数主要通过拟合晶体的实验数据或电子结构数据得到.提出了通过拟合双原子分子的量子化学从头计算电子结构数据来获得该势函数的方法,并由H2分子的电子结构数据建立了H原子间的电子壳模型势函数.此外,还应用该势函数对H+2分子离子进行了计算.该势函数拟合方案更适合于共价键型的分子.     

Exciton Stability and Luminescence in InN/(In,Ga)N Quantum Dots Under Size and Shell Content Effects

International Journal of Theoretical Physics - The electronic structure and associated excitonic properties of core/shell nanocrystals based on InN/(In,Ga)N quantum dots with InN-core and...     

Ion beam induced formation and interrogation of Au nanoclusters

Low-energy ion bombardment of a Au thin film by 0.5 keV Ar+ forms self-organized nanoclusters that display quantum size effects. The reduction of Au coverage with sputtering time is quantified with x-ray photoemission spectroscopy, and a decrease of both the rms roughness and correlation length is measured by STM. Neutralization of scattered 3 keV Na+ and K+ alkali-metal ions is used to probe the electronic states of the sputter-induced nanoclusters. The neutral fractions gradually increase as the cluster dimensions decrease, indicating that the electronic structure is similar to that of clusters grown by deposition.     

Efficient quantum monte carlo energies for molecular dynamics simulations

A method is presented to treat electrons within the many-body quantum Monte Carlo (QMC) approach "on-the-fly" throughout a molecular dynamics (MD) simulation. Our approach leverages the large (10-100) ratio of the QMC electron to MD ion motion to couple the stochastic, imaginary-time electronic and real-time ionic trajectories. This continuous evolution of the QMC electrons results in highly accurate total energies for the full dynamical trajectory at a fraction of the cost of conventional, discrete sampling. We show that this can be achieved efficiently for both ground and excited states with only a modest overhead to an ab initio MD method. The accuracy of this dynamical QMC approach is demonstrated for a variety of systems, phases, and properties, including optical gaps of hot silicon quantum dots, dissociation energy of a single water molecule, and heat of vaporization of liquid water.     

Spin-photon entangling diode

We propose a semiconductor device that can electrically generate entangled electron spin-photon states, providing a building block for entanglement of distant spins. The device consists of a p-i-n diode structure that incorporates a coupled double quantum dot. We show that electronic control of the diode bias and local gating allow for the generation of single photons that are entangled with a robust quantum memory based on the electron spins. Practical performance of this approach to controlled spin-photon entanglement is analyzed.     

Dissociation of 14N2+ ions induced by slow electrons

The cross sections and thermal rate coefficients for the dissociative recombination (DR) of the molecular nitrogen ions initially in the first four vibrational levels of the ground electronic state have been computed in the framework of the multichannel quantum defect theory. An energy range of 0.001–1 eV has been considered. The contribution of the indirect DR mechanism involving Rydberg states associated with the first excited ion core has also been investigated.     

利用电子结构数据拟合H2分子的电子壳模型势函数参数

电子壳模型势函数在离子晶体的原子级计算机模拟中有广泛应用,其势参数主要通过拟合晶体的实验数据或电子结构数据得到.提出了通过拟合双原子分子的量子化学从头计算电子结构数据来获得该势函数的方法,并由H₂分子的电子结构数据建立了H原子间的电子壳模型势函数.此外,还应用该势函数对H⁺₂分子离子进行了计算.该势函数拟合方案更适合于共价键型的分子. 关键词： 电子壳模型势 参数拟合 共价键 2分子')" href="#">H₂分子     

Optimal control strategies for coupled quantum dots

Semiconductor quantum dots are ideal candidates for quantum information applications in solid-state technology. However, advanced theoretical and experimental tools are required to coherently control, for example, the electronic charge in these systems. Here we demonstrate how quantum optimal control theory provides a powerful way to manipulate the electronic structure of coupled quantum dots with an extremely high fidelity. As alternative control fields we apply both laser pulses as well as electric gates, respectively. We focus on double and triple quantum dots containing a single electron or two electrons interacting via Coulomb repulsion. In the two-electron situation we also briefly demonstrate the challenges of timedependent density-functional theory within the adiabatic local-density approximation to produce comparable results with the numerically exact approach.     

Vibrational spectrum at a water surface: a hybrid quantum mechanics/molecular mechanics molecular dynamics approach

A hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulation is applied to the calculation of surface orientational structure and vibrational spectrum (second-order nonlinear susceptibility) at the vapor/water interface for the first time. The surface orientational structure of the QM water molecules is consistent with the previous MD studies, and the calculated susceptibility reproduces the experimentally reported one, supporting the previous results using the classical force field MD simulation. The present QM/MM MD simulation also demonstrates that the positive sign of the imaginary part of the second-order nonlinear susceptibility at the lower hydrogen bonding OH frequency region originates not from individual molecular orientational structure, but from cooperative electronic structure through the hydrogen bonding network.     

Intensity-dependent nonlinear optical properties in a modulation-doped single quantum well

In the present work, the changes in the intersubband optical absorption coefficients and the refractive index in a modulation-doped quantum well have been investigated theoretically. Within the envelope function approach and the effective mass approximation, the electronic structure of the quantum well is calculated from the self-consistent numerical solution of the coupled Schrödinger-Poisson equations. The analytical expressions of optical properties are obtained by using the compact density-matrix approach. The numerical results GaAs/Al_xGa_1−xAs are presented for typical modulation-doped quantum well system. The linear, third-order nonlinear and total absorption and refractive index changes depending on the doping concentration are investigated as a function of the incident optical intensity and structure parameters, such as quantum well width and stoichiometric ratio. The results show that the doping concentration, the structure parameters and the incident optical intensity have a great effect on the optical characteristics of these structures.     

Equation of State of Dense Plasma Mixtures: Application to the Sun Center

We present a self‐consistent approach to the modeling of dense plasma mixtures in local thermodynamic equi‐librium. In each electron configuration the nucleus is totally screened by electrons in a Wigner‐Seitz sphere (ion‐sphere model). Bound and free electrons are treated quantum‐mechanically. The assumption that all species should have the same electronic environment leads to the equality of the electronic pressure for all ions of all elements having therefore different cell volumes. The variation of the average atomic radii of the different elements with respect to temperature is investigated, and the procedure is applied to the determination of pressure in the Sun center (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)