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Quantum graph spectra of a graphyne structure

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EN
We study the dispersion relations and spectra of invariant Schrödinger operators on a graphyne structure (lithographite). In particular, description of different parts of the spectrum, band-gap structure, and Dirac points are provided.
EN
This paper is devoted to numerical simulations of electronic transport in nanoscale semiconductor devices forwhich charged carriers are extremely confined in one direction. In such devices, like DG-MOSFETs, the subband decomposition method is used to reduce the dimensionality of the problem. In the transversal direction electrons are confined and described by a statistical mixture of eigenstates of the Schrödinger operator. In the longitudinal direction, the device is decomposed into a quantum zone (where quantum effects are expected to be large) and a classical zone (where they are negligible). In the largely doped source and drain regions of a DG-MOSFET, the transport is expected to be highly collisional; then a classical transport equation in diffusive regime coupled with the subband decomposition method is used for the modeling, as proposed in N. Ben Abdallah et al. (2006, Proc. Edind. Math. Soc. [7]). In the quantum region, the purely ballistic model presented in Polizzi et al. (2005, J. Comp. Phys. [25]) is used. This work is devoted to the hybrid coupling between these two regions through connection conditions at the interfaces. These conditions have been obtained in order to verify the continuity of the current. A numerical simulation for a DG-MOSFET, with comparison with the classical and quantum model, is provided to illustrate our approach.
EN
We propose a modification of the interface roughness (IFR) scattering form factor in intersubband transitions.We properly derived a formula for the form factor for IFR scattering in terms of the integrals of the envelope wave functions. This novel form factor is more global nature than the old one (proposed by Ando) and may be suitable for a wide range of applications. In this paper, we calculate and compare the absorption linewidth with the application of the old form factor and novel one. In different from previous calculations, with the same surface profile (Δ, Λ), the calculation results the interface roughness scattering absorption linewidth with the application of the new form factor is greater than twice the old one. Our numerical calculations may better explain the experimental results the well-width dependence of intersubband absorption linewidth.
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A numerically efficient approach to the modelling of double-Qdot channels

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EN
We consider the electronic properties of a system consisting of two quantum dots in physical proximity, which we will refer to as the double-Qdot. Double-Qdots are attractive in light of their potential application to spin-based quantum computing and other electronic applications, e.g. as specialized sensors. Our main goal is to derive the essential properties of the double-Qdot from a model that is rigorous yet numerically tractable, and largely circumvents the complexities of an ab initio simulation. To this end we propose a novel Hamiltonian that captures the dynamics of a bi-partite quantum system, wherein the interaction is described via a Wiener-Hopf type operator. We subsequently describe the density of states function and derive the electronic properties of the underlying system. The analysis seems to capture a plethora of electronic profiles, and reveals the versatility of the proposed framework for double-Qdot channel modelling.
5
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Bayesian Analysis for Robust Synthesis of Nanostructures

72%
EN
Nanomaterials, because of their unique properties such as extremely small size and increased ratio of surface area to volume, have a great potential in many industrial applications that involve electronics, sensors, solar cells, super-strong materials, coatings, drug delivery, and nanomedicine. They have the potential also to improve the environment by direct applications of these materials to detect, prevent and remove pollutants. While nanomaterials present seemingly limitless possibilities, they bring with them new challenges. Among them is the precise control of the morphology of nanomaterials, which is extremely critical to the development of advanced nanodevices with various functionalities. The one-dimensional nanostructures of Cadmium Selenide (CdSe) have been found to represent morphologies of nanowires, nanobelts, and nanosaws, however, their synthesis is by trial and error. Predictive modeling and control methods are essential to process yield and productivity improvement. The process yield (response) is a vector whose elements correspond to the number of appearances of the different types of nanostructures, namely nanosaws, nanowires, and nanobelts. The goal in this paper is to apply existing Bayesian methodologies to describe the growths of these nanostructures in terms of process variables and to predict the probability of transition from one nanostructure to another when changes are made to one or more process variables. We also propose a Bayesian algorithm to identify the optimal process conditions that maximize the predicted probability of each type of nanostructure.
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