Simulation of carrier capture in quantum well lasers due to strong inelastic scattering

The effects of strong inelastic scattering on carrier transport over and capture into the quantum wells of quantum well lasers are simulated. In contrast to most semiconductor devices, strong scattering is beneficial to the operation of quantum well lasers. However, such strong inelastic scattering in nanostructures can be expected to produce intermediate degrees of phase coherence, limiting the applicability of both classical models, such as Bethe thermionic emission theory, and commonly used quantum mechanical treatments, such as Fermi's Golden Rule. Two computational approaches are demonstrated for simulating such transport with intermediate degrees of phase coherence. First, absorbing potentials are used within Schrödinger's equation to represent inelastic scattering. This simple approach both exhibits much of the essential physics of such transport and is computationally efficient. Then a more rigorous approach, Schrödinger equation (based) Monte Carlo (SEMC), is demonstrated. While SEMC is rigorously quantum mechanical, the numerical algorithm has more in common with semiclassical Monte Carlo methods than path integral-based quantum Monte Carlo methods. Both of these methods demonstrate nonlinear variations in carrier capture with variations in scattering, and the destruction of quantum resonances for transmission over the quantum well.     

低维纳米材料量子热输运与自旋热电性质 ——非平衡格林函数方法的应用

低维材料不断涌现的新奇性质吸引着科学研究者的目光. 除了电子的量子输运行为之外, 人们也陆续发现和确认了热输运中显著的量子行为, 如 热导低温量子化、声子子带、尺寸效应、瓶颈效应等. 这些小尺度体系的热输运性质可以很好地用非平衡格林函数来描述. 本文首先介绍了量子热输运的特性、声子非平衡格林函数方法及其在低维纳米材料中的研究进展; 其次回顾了近年来在 一系列低维材料中发现的热-自旋输运现象. 这些自旋热学现象展现了全新的热电转换机制, 有助于设计新型的热电转换器件, 同时也给出了用热产生自旋流的新途径; 最后介绍了线性响应理论以及在此理论框架下结合声子、电子非平衡格林函数方法进行的一些有益的探索. 量子热输运的研究对热效应基础研究以及声子学器件、能量转换器件的发展有着不可替代的重要作用.     

Rashba interferometers: Spin-dependent single- and two-electron interference

Quantum transport in semiconductor nanostructures can be described theoretically in terms of the propagation and scattering of electron probability waves. Within this approach, elements of a phase-coherent electric circuit play a role similar to quantum-optical devices that can be characterised by scattering matrices. Electronic analogues of well-know optical interferometers have been fabricated and used to study special features of charge carriers in solids. We present results from our theoretical investigation into the interplay between spin precession and quantum interference in an electronic Mach-Zehnder interferometer with spin-orbit coupling of the Rashba type. Intriguing spin-dependent transport effects occur, which can be the basis for novel spintronic devices such as a magnet-less spin-controlled field-effect transistor and a variety of single-qubit gates. Their functionality arises entirely from spin-dependent interference of each single-input electron with itself. We have also studied two-electron interference effects for the spin-dependent Mach-Zehnder interferometer, obtaining analytical expressions for its two-fermion-state scattering matrix. Using this result, we consider ways to generate two-electron output states for which the Rashba spin-subband quantum number and the output arm index are entangled. Combining spin-dependent interference in our proposed Mach-Zehnder interferometer with a projective charge measurement at the output enables entanglement generation. As our particular scheme involves tuneable spin precession, electric-field control of entanglement production can be achieved.     

Hydrogen atoms cause long-range electronic effects on graphite

We report on long-range electronic effects caused by hydrogen-carbon interaction at the graphite surface. Two types of defects could be distinguished with a combined mode of scanning tunneling microscopy and atomic force microscopy: chemisorption of hydrogen on the basal plane of graphite and atomic vacancy formation. Both types show a (sqrt[3]xsqrt[3])R30 degrees superlattice in the local density of states but have a different topographic structure. The range of modifications in the electronic structure, of fundamental importance for electronic devices based on carbon nanostructures, has been found to be of the order of 20-25 lattice constants.     

Asymptotics of the dispersion interaction: analytic benchmarks for van der Waals energy functionals

We show that the usual sum of R-6 contributions from elements separated by distance R can give qualitatively wrong results for the electromagnetically nonretarded van der Waals interaction between nonoverlapping bodies. This occurs for anisotropic nanostructures that have a zero electronic energy gap, such as metallic nanotubes or nanowires, and nanolayered systems including metals and graphene planes. In all these cases our analytic microscopic calculations give an interaction falling off with a power of separation different from the conventional value. We discuss implications for van der Waals energy functionals. The new nanotube interaction might be directly observable at submicron separations.     

Transport in graphene nanostructures

Graphene nanostructures are promising candidates for future nanoelectronics and solid-state quantum information technology. In this review we provide an overview of a number of electron transport experiments on etched graphene nanostructures. We briefly revisit the electronic properties and the transport characteristics of bulk, i.e., two-dimensional graphene. The fabrication techniques for making graphene nanostructures such as nanoribbons, single electron transistors and quantum dots, mainly based on a dry etching ??paper-cutting?? technique are discussed in detail. The limitations of the current fabrication technology are discussed when we outline the quantum transport properties of the nanostructured devices. In particular we focus here on transport through graphene nanoribbons and constrictions, single electron transistors as well as on graphene quantum dots including double quantum dots. These quasi-one-dimensional (nanoribbons) and quasi-zero-dimensional (quantum dots) graphene nanostructures show a clear route of how to overcome the gapless nature of graphene allowing the confinement of individual carriers and their control by lateral graphene gates and charge detectors. In particular, we emphasize that graphene quantum dots and double quantum dots are very promising systems for spin-based solid state quantum computation, since they are believed to have exceptionally long spin coherence times due to weak spin-orbit coupling and weak hyperfine interaction in graphene.     

Rectifying performance in zigzag graphene nanoribbon heterojunctions with different edge hydrogenations

Using nonequilibrium Green?s functions in combination with the density functional theory, we investigated the electronic transport behaviors of zigzag graphene nanoribbon (ZGNR) heterojunctions with different edge hydrogenations. The results show that electronic transport properties of ZGNR heterojunctions can be modulated by hydrogenations, and prominent rectification effects can be observed. We propose that the edge dihydrogenation leads to a blocking of electronic transfer, as well as the changes of the distribution of the frontier orbital at negative/positive bias might be responsible for the rectification effects. These results may be helpful for designing practical devices based on graphene nanoribbons.     

Tunneling and nonhyperbolicity in quantum dots

We argue that many major features in electronic transport in realistic quantum dots are not explainable by the usual semiclassical approach, due to the contributions of the quantum-mechanical tunneling of the electrons through the Kolmogorov-Arnol'd-Moser islands. We show that dynamical tunneling gives rise to a set of resonances characterized by two quantum numbers, which leads to conductance oscillations and concentration of wave functions near stable and unstable periodic orbits. Experimental results agree very well with our theoretical predictions, indicating that tunneling has to be taken into account to understand the physics of transport in generic nanostructures.     

Ballistic phonon thermal transport across topologically structured nanojunctions on Gold wires

We investigate the coherent phonon thermal transport at low temperatures in Gold nanowires, in order to study the effects of scattering on the lattice thermal conductivity. Three types of shaped joint nanostructures are employed in our calculation. We present a detailed study of the thermal conductance as a function of the temperature for different shaped joint. This is done by solving the phonon Boltzmann transport equation in the ballistic regime and calculating the transmission rates of the vibration modes through the consideration of the phonon group velocity modification in the system. The transmission properties are calculated by use of the matching method in the harmonic approximation with nearest and next nearest neighbor force constants. The results show that the transmission probabilities depend on the type of joint nanostructure. The pronounced fluctuations of the transmission spectra as a function of the frequency can be understood as Fano resonances. It is also found that the behavior of the thermal conductance versus temperature is qualitatively different for different nanostructures and depends sensitively on the width of the shaped joint.     

Electronic properties and quantum transport in Graphene-based nanostructures

Carbon nanotubes (CNTs) and graphene nanoribbons (GNRs) represent a novel class of low-dimensional materials. All these graphene-based nanostructures are expected to display the extraordinary electronic, thermal and mechanical properties of graphene and are thus promising candidates for a wide range of nanoscience and nanotechnology applications. In this paper, the electronic and quantum transport properties of these carbon nanomaterials are reviewed. Although these systems share the similar graphene electronic structure, confinement effects are playing a crucial role. Indeed, the lateral confinement of charge carriers could create an energy gap near the charge neutrality point, depending on the width of the ribbon, the nanotube diameter, the stacking of the carbon layers regarding the different crystallographic orientations involved. After reviewing the transport properties of defect-free systems, doping and topological defects (including edge disorder) are also proposed as tools to taylor the quantum conductance in these materials. Their unusual electronic and transport properties promote these carbon nanomaterials as promising candidates for new building blocks in a future carbon-based nanoelectronics, thus opening alternatives to present silicon-based electronics devices.     

Influence of several factors on the growth of selenium nanowires induced by silver nanoparticles

This paper presents a study on the crystallization and growth mechanism of selenium nanowires induced by silver nanoparticles at ambient conditions with special reference to the effects of factors such as the shapes and size of silver nanoparticles, the induced reaction time, and the molar ratio of Ag⁰ to SeO₃²⁻ ions. The synthesis approach is conducted with no need of any stabilizers, and with no sonochemical process and/or templates. It is found that whether silver spherical particles or colloids can lead to the formation of nanowires with average diameter of 25 nm and lengths up to a few micrometers, and silver nanoplates lead to the formation of flat Se nanostructures. In particular, Au, Cu, Pt, and Pd particles cannot induce the growth of selenium nanowires in aqueous solution at room temperature. The results indicate that silver particles play a critical role in determining the growth of selenium nanowires. The lattice match between hexagonal-Se and orthorhombic- or trigonal-Ag₂Se particles is the major driving force in the growth of such nanostructures. The findings would be useful for design and construction of heterogeneous nanostructures with similar lattice parameter(s).     

Electronic and optoelectronic nano-devices based on carbon nanotubes

The discovery and understanding of nanoscale phenomena and the assembly of nanostructures into different devices are among the most promising fields of material science research. In this scenario, carbon nanostructures have a special role since, in having only one chemical element, they allow physical properties to be calculated with high precision for comparison with experiment. Carbon nanostructures, and carbon nanotubes (CNTs) in particular, have such remarkable electronic and structural properties that they are used as active building blocks for a large variety of nanoscale devices. We review here the latest advances in research involving carbon nanotubes as active components in electronic and optoelectronic nano-devices. Opportunities for future research are also identified.     

Electronic properties of polymer crystals: the effect of interchain interactions

We present a theoretical study of the transport parameters in a prototype conjugated-polymer, poly-para-phenylenevinylene, in two different possible crystalline packings. Our analysis is performed through density-functional electronic structure calculations, and allows one to obtain the fundamental parameters describing charge transport. The transfer integrals are found to be a crucial quantity to appreciate the effects of crystalline aggregation on conduction properties: our results indicate that interchain interactions can be viewed as a tunable parameter for the design of efficient electronic devices based on organic materials.     

Numerical simulation of electron scattering by nanotube junctions

We demonstrate the possibility of computing the intensity of electronic transport through various junctions of three-dimensional metallic nanotubes. In particular, we observe that the magnetic field can be used to control the switch of electron in Y-type junctions. Keeping in mind the asymptotic modeling of reliable nanostructures by quantum graphs, we conjecture that the scattering matrix of the graph should be the same as the scattering matrix of its nanosize-prototype. The numerical computation of the latter gives a method for determining the “gluing” conditions at a graph. Exploring this conjecture, we show that the Kirchhoff conditions (which are commonly used on graphs) cannot be applied to model reliable junctions. This work is a natural extension of the paper [1], but it is written in a self-consistent manner. In memoriam Vladimir A. Geyler (1943–2007)     

Effect of N doping and Stone-Wales defects on the electronic properties of graphene nanoribbons

The effects of nitrogen substitutional doping in the Stone-Wales (SW) defect on the electronic transport properties of zigzag-edged graphene nanoribbon (ZGNR) are studied by using density functional theory combined with nonequilibrium Green’s function. The transformation energies of all doped nanostructures are evaluated in terms of total energies and, furthermore, it is found that the impurity placed on the center of the ribbon is the most energetically favorable site. Nitrogen substitution gives rise to a complete electron backscattering region in doped configurations, and the location of which is dependent on the doping sites. The electronic and transport properties of doped ZGNRs are discussed. Our results suggest that modification of the electronic properties of ZGNR with topological defects by substitutional doping might not be significant for some doping sites.     

Curvature effects on surface electron states in ballistic nanostructures

The curvature effect on the electronic states of a deformed cylindrical conducting surface of variable diameter is theoretically investigated. The quantum confinement of electrons normal to the curved surface results in an effective potential energy that affects the electronic structures of the system at low-energies. This suggests the possibility that ballistic transport of electrons in low-dimensional nanostructures can be controlled by inducing a local geometric deformation.     

Electronic properties of a molecular system with Platinum

The electronic properties are studied using a finite homogeneous molecule called Trans-platinum-linked oligo(tetraethenylethenes). This system is composed of individual molecules such as benzene rings, platinum, Phosphore and Sulfur. The mechanism for the study of the electron transport through this system is based on placing the molecule between metal contacts to control the current through the molecular system.We study this molecule based on the tight-binding approach for the calculation of the transport properties using the Landauer-Büttiker formalism and the Fischer-Lee relationship, based on a semi-analytic Green's function method within a real-space renormalization approach. Our results show a significant agreement with experimental measurements.