相关论文: NANOTCAD2D: Two-dimensional code for the simulatio…
Nanotechnology's impact on semiconductor industry advancement, particularly through the engineering of nanostructures like nanowires, opens new possibilities for material functionality due to the tunable physical properties of…
A computational approach combining dispersion-corrected density functional theory (DFT) and classical molecular dynamics is employed to characterize the geometrical and thermo-mechanical properties of a recently proposed 2D transition metal…
In this paper, we consider a semiconducting device with an active zone made of a single-layer material. The associated Poisson equation for the electrostatic potential (to be solved in order to perform self-consistent computations) is…
This study comprehensively characterizes, with suggested applications, a novel two-dimensional carbon allotrope, C$_{16}$, using Density Functional Theory and machine learning-based molecular dynamics. This nanomaterial is derived from…
Emerging classical and quantum device concepts demand precise spatial control over the optoelectronic properties of two-dimensional (2D) materials, but deterministic engineering via local multiaxial strain distributions remains challenging.…
Tunneling between two parallel, two-dimensional electron gases (2DEGs) in a complex oxide heterostructure containing a large, mobile electron density of ~ 3x10^14 cm^-2 is used to probe the subband structure of the 2DEGs.…
DFT and AIMD are used to investigate the structural, stability, electronic, thermal, and optical properties of the quasi-2D C2N2O structure. The structure exhibits thermal and energy stability, signifying robustness under ambient…
We derive the spectral domain properties of two-dimensional (2-D) $(\lambda_1, \lambda_2)$-constacyclic codes over $\mathbb{F}_q$ using the 2-D finite field Fourier transform (FFFT). Based on the spectral nulls of 2-D $(\lambda_1,…
Heuslers are a prominent family of multi-functional materials that includes semiconductors, half metals, topological semimetals, and magnetic superconductors. Owing to their same crystalline structure, yet quite different electronic…
Without access to the full quantum state, modeling dissipation in an open system requires approximations. The physical soundness of such approximations relies on using realistic microscopic models of dissipation that satisfy completely…
Kinetic 3D lattice Monte Carlo studies are presented on Si nanocrystal (NC) formation by phase separation in 1 keV Si implanted thin SiO2 films. The simulation start from Si depth profiles calculated using the dynamic, high-fluence binary…
The electronic structure of nanocylinder without and with a small perturbation is investigated with the help of calculation of the local density of states. A continuum gauge field-theory model is used for this purpose. In this model, Dirac…
Comparing with the conventional semiconductors, the choice of the two dimensional semiconductor (2DSC) materials is very limited. Based on proper electron counting, we propose a large family of 2DSCs, all adopting the same structure and…
Semiconductor-based plasmonic nanostructures support localized surface plasmon modes in the infrared region. Unlike metallic nanostructures, they support both free electrons and holes, requiring a two-fluid hydrodynamic Drude equation (HDE)…
In solving the Schr\"odinger equation to simulate a nanoscale circuit, we note that the mean free path for electrons in some metals is as large as 48 nm. Thus, the wavefunction may propagate coherently through wires corresponding to the…
This paper introduces a new approach for simulating magnetic properties of nanocomposites comprising magnetic particles embedded in a non-magnetic matrix, taking into account the 3D structure of the system in which particles' positions…
We present a novel computational framework to simulate the electromechanical response of self-sensing carbon nanotube (CNT)-based composites experiencing fracture. The computational framework combines electrical-deformation-fracture finite…
Atomically thin two dimensional (2D) layered materials have emerged as a new class of material for nanoelectromechanical systems (NEMS) due to their extraordinary mechanical properties and ultralow mass density. Among them, graphene has…
Lateral heterostructures of two-dimensional (2D) materials, integrating different phases or materials into a single piece of nanosheet, have attracted intensive research interests in the past few years for high-performance electronic and…
Gauge theories are the most successful theories for describing nature at its fundamental level, but obtaining analytical or numerical solutions often remains a challenge. We propose an experimental quantum simulation scheme to study ground…