Challenges in the NEGF Simulation of Quantum‐Well Photovoltaics Posed by Non‐Locality and Localization

Aeberhard, Urs

doi:10.1002/pssb.201800500

Cited by 8 publications

(2 citation statements)

References 40 publications

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“…Accounting for that full nonlocality in atomistic NEGF is numerically very expensive. Neglect of nonlocal scattering underestimates scattering and orbital diagonal scattering for a given position violates selection rules 51 . In this work, the numerical implementation of the self-energies described above are limited to atomblockdiagonals only, i.e.…”

Section: F Compensation Factor For Non-local Scattering Self-energiesmentioning

confidence: 99%

Non-equilibrium Green's function predictions of band tails and band gap narrowing in III-V semiconductors and nanodevices

Sarangapani,

Chu,

Charles

et al. 2019

Preprint

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High-doping induced Urbach tails and band gap narrowing play a significant role in determining the performance of tunneling devices and optoelectronic devices such as tunnel field-effect transistors (TFETs), Esaki diodes and light-emitting diodes. In this work, Urbach tails and band gap narrowing values are calculated explicitly for GaAs, InAs, GaSb and GaN as well as ultra-thin bodies and nanowires of the same. Electrons are solved in the non-equilibrium Green's function method in multi-band atomistic tight binding. Scattering on polar optical phonons and charged impurities is solved in the self-consistent Born approximation. The corresponding nonlocal scattering self-energies as well as their numerically efficient formulations are introduced for ultra-thin bodies and nanowires. Predicted Urbach band tails and conduction band gap narrowing agree well with experimental literature for a range of temperatures and doping concentrations. Polynomial fits of the Urbach tail and band gap narrowing as a function of doping are tabulated for quick reference.

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Section: F Compensation Factor For Non-local Scattering Self-energiesmentioning

confidence: 99%

Non-equilibrium Green's function predictions of band tails and band gap narrowing in III-V semiconductors and nanodevices

Sarangapani,

Chu,

Charles

et al. 2019

Preprint

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“…Aeberhard conducted a computational study of hot carrier photocurrent generation in quantum well solar cells using an NEGF approach [275,276]. The author included GW self-energy to treat electron-electron scattering together with photogeneration and phonon-mediated carrier relaxation.…”

Section: Light-matter Interactionmentioning

confidence: 99%

Computational perspective on recent advances in quantum electronics: from electron quantum optics to nanoelectronic devices and systems

Weinbub

Kosik

2022

J. Phys.: Condens. Matter

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Quantum electronics has significantly evolved over the last decades. Where initially the clear focus was on light-matter interactions, nowadays approaches based on the electron's wave nature have solidified themselves as additional focus areas. This development is largely driven by continuous advances in electron quantum optics, electron based quantum information processing, electronic materials, and nanoelectronic devices and systems. The pace of research in all of these areas is astonishing and is accompanied by substantial theoretical and experimental advancements. What is particularly exciting is the fact that the computational methods, together with broadly available large-scale computing resources, have matured to such a degree so as to be essential enabling technologies themselves. These methods allow to predict, analyze, and design not only individual physical processes but also entire devices and systems, which would otherwise be very challenging or sometimes even out of reach with conventional experimental capabilities. This review is thus a testament to the increasingly towering importance of computational methods for advancing the expanding field of quantum electronics. To that end, computational aspects of a representative selection of recent research in quantum electronics are highlighted where a major focus is on the electron's wave nature. By categorizing the research into concrete technological applications, researchers and engineers will be able to use this review as a source for inspiration regarding problem-specific computational methods.

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A semi-classical Floquet-NEGF approach to model photon-assisted tunneling in quantum well devices

De Sutter,

Vanderstraeten,

Vande Ginste

2024

J Comput Electron

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Challenges in the NEGF Simulation of Quantum‐Well Photovoltaics Posed by Non‐Locality and Localization

Cited by 8 publications

References 40 publications

Non-equilibrium Green's function predictions of band tails and band gap narrowing in III-V semiconductors and nanodevices

Non-equilibrium Green's function predictions of band tails and band gap narrowing in III-V semiconductors and nanodevices

Computational perspective on recent advances in quantum electronics: from electron quantum optics to nanoelectronic devices and systems

A semi-classical Floquet-NEGF approach to model photon-assisted tunneling in quantum well devices

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