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Density functional theory calculations are performed on phosphorene quantum dots having different shapes and edge terminations to investigate their structure stability, electronic properties, and gas sensing ability. All the selected…

Mesoscale and Nanoscale Physics · Physics 2018-12-05 Hazem Abdelsalam , Vasil A. Saroka , Waleed O. Younis

In this article we propose two novel 3D finite element models, denoted method A and B, for electron and hole Drift-Diffusion (DD) current densities. Method A is based on a primal-mixed formulation of the DD model as a function of the…

Numerical Analysis · Mathematics 2014-12-12 Aurelio Mauri , Andrea Bortolossi , Giovanni Novielli , Riccardo Sacco

The Finite Element Method (FEM) is widely used to solve discrete Partial Differential Equations (PDEs) in engineering and graphics applications. The popularity of FEM led to the development of a large family of variants, most of which…

Numerical Analysis · Computer Science 2022-03-10 Teseo Schneider , Yixin Hu , Xifeng Gao , Jeremie Dumas , Denis Zorin , Daniele Panozzo

The study investigates and compares the impact of intense, non-diffractive, non-resonant structured laser beams with various intensity profiles on the properties of InAs/GaAs cylindrical quantum dot. The comparative study demon-strates that…

Mesoscale and Nanoscale Physics · Physics 2025-06-13 T. A. Sargsian , P. A. Mantashyan , D. B. Hayrapetyan

In the context of fast developing quantum technologies, locating single quantum objects embedded in solid or fluid environment while keeping their properties unchanged is a crucial requirement as well as a challenge. Such "quantum…

The interaction between carbon nanostructures like quantum dots and radiation can generate different effects inside the nanomaterial, with the use of computational methods such effects can be predicted and optimize the material allowing a…

Mesoscale and Nanoscale Physics · Physics 2022-05-10 Alexander Leon , Juan E. Gomez , Freddy R. Perez

Quantum Dots are very attractive nanostructures from an application point of view due to their unique optical properties. Optical properties and Valence Band states character was numerically investigated from the effect of nanostructure…

Mesoscale and Nanoscale Physics · Physics 2023-07-18 M. Lazarev

The finite difference time domain (FDTD) method has been successfully applied to obtain energies and wave functions for two electrons in a quantum dot modeled by a three dimensional harmonic potential. The FDTD method uses the…

Computational Physics · Physics 2017-06-12 I Wayan Sudiarta , Lily Maysari Angraini

The finite element methods (FEM) are important techniques in engineering for solving partial differential equations, but they depend heavily on element shape quality for stability and good performance. In this paper, we introduce the…

Numerical Analysis · Mathematics 2016-03-30 Rebecca Conley , Tristan J. Delaney , Xiangmin Jiao

Approximated numerical techniques, for the solution of the elastic wave scattering problem over semi-infinite domains are reviewed. The approximations involve the representation of the half-space by a boundary condition described in terms…

Computational Engineering, Finance, and Science · Computer Science 2014-10-14 Nicolás Guarín-Zapata , Juan Gómez , Juan Jaramillo

In this paper we discuss one-dimensional models reproducing some features of quantum electrodynamics and quantum chromodynamics at nonzero density and temperature. Since a severe sign problem makes a numerical treatment of QED and QCD at…

High Energy Physics - Lattice · Physics 2015-08-05 Jan M. Pawlowski , Ion-Olimpiu Stamatescu , Christian Zielinski

We suggest a method for calculating electronic spectra in ordered and disordered semiconductor structures (superlattices) forming double quantum wells (QW). In our method, we represent the solution of Schr\"odinger equation for QW potential…

Materials Science · Physics 2022-04-13 Piotr Garbaczewski , Vladimir A. Stephanovich , Grzegorz Engel

We apply density functional theory, in the local density approximation, to a quasi-one-dimensional electron gas in order to quantify the effect of Coulomb and correlation effects in modulating, and therefore patterning, the charge density…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 E. T. Owen , C. H. W. Barnes

The exactly solvable model of quasi-conical quantum dot, having a form of spherical sector is proposed. Due to the specific symmetry of the problem the separation of variables in spherical coordinates is possible in the one-electron…

Mesoscale and Nanoscale Physics · Physics 2016-08-03 Eduard Kazaryan , Lyudvig Petrosyan , Vanik Shahnazaryan , Hayk Sarkisyan

Experimental results obtained previously for the photoluminescence efficiency (PL$_{eff}$) of Ge quantum dots (QDs) are theoretically studied. A $\log$-$\log$ plot of PL$_{eff}$ versus QD diameter ($D$) resulted in an identical slope for…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 E. G. Barbagiovanni , D. J. Lockwood , N. L. Rowell , R. N. Costa Filho , I. Berbezier , G. Amiard , L. Favre , A. Ronda , M. Faustini , D. Grosso

In this study, we have performed a detailed investigation of the electronic properties of a core/shell/well/shell multi-layered spherical quantum dot, such as energy eigenvalues, wave functions, electron probability distribution and binding…

Mesoscale and Nanoscale Physics · Physics 2013-05-07 Hatice Taş , Mehmet Sahin

Using single-particle pseudopotential and many-particle configuration interaction methods, we compare various physical quantities of (In,Ga)As/GaAs quantum dot molecules (QDMs) made of dissimilar dots (heteropolar QDMs) with QDMs made of…

Materials Science · Physics 2015-06-25 Lixin He , Alex Zunger

To deal with the multi-scale nature of the quench propagation problem in superconducting magnets, this work presents a quasi-three-dimensional (Q3D) approach combining a two-dimensional finite-element method (FEM) in the transversal…

Computational Engineering, Finance, and Science · Computer Science 2021-11-30 Laura A. M. D'Angelo , Jonas Christ , Herbert De Gersem

The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yields transferable and linear-scaling predictions is to…

Chemical Physics · Physics 2022-06-29 Andrea Grisafi , Alan M. Lewis , Mariana Rossi , Michele Ceriotti

This paper deals with the asymptotic behavior and FEM error analysis of a class of strongly damped wave equations using a semidiscrete finite element method in spatial directions combined with a finite difference scheme in the time…

Numerical Analysis · Mathematics 2025-11-03 Krishan Kumar , P. Danumjaya , Anil Kumar , Amiya K. Pani
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