Multiscale quantum mechanics/electromagnetics simulation for electronic devices

Yam, ChiYung; Meng, Lingyi; Chen, Guanhua; Chen, Quan; Wong, Ngai

doi:10.1039/c1cp20766k

Cited by 38 publications

(49 citation statements)

References 19 publications

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“…The necessity of multiscale simulation models for electronics based on carbon nanotubes (CNTs) for example has been mentioned in [17], and the first example of multiscale coupling between a semiclassical drift-diffusion model and microscopic transport model based on NEGF has been demonstrated in [18]. Since then, multiscale approaches for electronic device simulation have gained increasing attention [15,[19][20][21][22][23], with particular interest in the coupling of atomistic and continuous models [14][15][16].…”

Section: Multiscale Coupling Schemesmentioning

confidence: 99%

“…In this case, the models are connected by means of boundary conditions. In particular, the drift-diffusion model provides the quasi-Fermi level in the semi-infinite contacts of the NEGF domain, which are assumed in local equilibrium, and the NEGF calculation in turn provides the current densities at the interface between the two domains, which act as von Neumann boundary conditions for the drift-diffusion model [14,18,24].…”

Section: Multiscale Coupling Schemesmentioning

confidence: 99%

“…However, such models are usually limited to rather small simulation domains, due to their increased computational demands. Multiscale approaches are therefore an invaluable means to combine the advantages of both continuous and atomistic models in a multiscale setup, and several groups are in fact working on this approach [14][15][16].…”

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confidence: 99%

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Multiscale approaches for the simulation of InGaN/GaN LEDs

Maur

2015

J Comput Electron

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In this work we review basic aspects of multi-\ud scale approaches for combining atomistic with continuous\ud media descriptions and quantum mechanical with semiclassi-\ud cal driftdiffusion transport models for LED simulations. We\ud show how hybrid coupling of the Green's function formalism\ud with driftdiffusion simulations can give additional insight\ud into device behaviour without compromising too much com-\ud putational efficiency, and that the inclusion of atomistic tight-\ud binding calculations in a multiscale framework can help in\ud understanding specific features related to alloy fluctuations

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Section: Multiscale Coupling Schemesmentioning

confidence: 99%

Section: Multiscale Coupling Schemesmentioning

confidence: 99%

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Multiscale approaches for the simulation of InGaN/GaN LEDs

Maur

2015

J Comput Electron

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“…[2][3][4][5][6][7][8][9][10][11] At the nanoscale, details of atomistic disposition can be critical to the overall properties of the system. 7,8 Multiscale approaches have been recently applied to electronic devices, [3][4][5][6] where quantum mechanical models [12][13][14][15][16][17] are solved in conjunction with classical electromagnetics. One way to include appropriate multiple length scales is to connect atomistic models with continuum models.…”

Section: Introductionmentioning

confidence: 99%

A multiscale quantum mechanics/electromagnetics method for device simulations

et al. 2015

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Multiscale modeling has become a popular tool for research applying to different areas including materials science, microelectronics, biology, chemistry, etc. In this tutorial review, we describe a newly developed multiscale computational method, incorporating quantum mechanics into electronic device modeling with the electromagnetic environment included through classical electrodynamics. In the quantum mechanics/electromagnetics (QM/EM) method, the regions of the system where active electron scattering processes take place are treated quantum mechanically, while the surroundings are described by Maxwell's equations and a semiclassical drift-diffusion model. The QM model and the EM model are solved, respectively, in different regions of the system in a self-consistent manner. Potential distributions and current densities at the interface between QM and EM regions are employed as the boundary conditions for the quantum mechanical and electromagnetic simulations, respectively. The method is illustrated in the simulation of several realistic systems. In the case of junctionless field-effect transistors, transfer characteristics are obtained and a good agreement between experiments and simulations is achieved. Optical properties of a tandem photovoltaic cell are studied and the simulations demonstrate that multiple QM regions are coupled through the classical EM model. Finally, the study of a carbon nanotube-based molecular device shows the accuracy and efficiency of the QM/EM method.

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“…The A-V co-simulator has been translated into a series of commercial tools [3], and verified against measurements with a number of industrial examples [4], [5]. Meanwhile, the A-V formulation has also been coupled with a quantum mechanical model to enable a multiscale simulation framework (called QM/EM method) for emerging nano-electronic devices [6], [7]. Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page.…”

Section: Introductionmentioning

confidence: 99%

A fast time-domain EM-TCAD coupled simulation framework via matrix exponential

Chen

Schoenmaker

Weng

et al. 2012

Proceedings of the International Conference on Computer-Aided Design

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We present a fast time-domain multiphysics simulation framework that combines full-wave electromagnetism (EM) and carrier transport in semiconductor devices (TCAD). The proposed framework features a division of linear and nonlinear components in the EM-TCAD coupled system. The former is extracted and handled independently with high efficiency by a matrix exponential approach assisted with Krylov subspace method. The latter is treated by ordinary Newton's method yet with a much sparser Jacobian matrix that leads to substantial speedup in solving the linear system of equations. More convenient error management and adaptive control are also available through the linear and nonlinear decoupling.

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Multiscale quantum mechanics/electromagnetics simulation for electronic devices

Cited by 38 publications

References 19 publications

Multiscale approaches for the simulation of InGaN/GaN LEDs

Multiscale approaches for the simulation of InGaN/GaN LEDs

A multiscale quantum mechanics/electromagnetics method for device simulations

A fast time-domain EM-TCAD coupled simulation framework via matrix exponential

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