The cell-centered Finite-Volume self-consistent approach for heterostructures: 1D electron gas at the Si-SiO2 interface

Fuente: arXiv
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Main Authors: Mosallanejad, Vahid, Li, Haiou, Cao, Gang, Chiu, Kuei-Lin, Dou, Wenjie, Guo, Guo-ping
Format: Preprint
Published: 2021
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author Mosallanejad, Vahid
Li, Haiou
Cao, Gang
Chiu, Kuei-Lin
Dou, Wenjie
Guo, Guo-ping
author_facet Mosallanejad, Vahid
Li, Haiou
Cao, Gang
Chiu, Kuei-Lin
Dou, Wenjie
Guo, Guo-ping
contents Achieving self-consistent convergence with the conventional effective-mass approach at ultra-low temperatures (below $4.2~K$) is a challenging task, which mostly lies in the discontinuities in material properties (e.g., effective-mass, electron affinity, dielectric constant). In this article, we develop a novel self-consistent approach based on cell-centered Finite-Volume discretization of the Sturm-Liouville form of the effective-mass Schr{ö}dinger equation and generalized Poisson's equation (FV-SP). We apply this approach to simulate the one-dimensional electron gas (1DEG) formed at the Si-SiO$_2$ interface via a top gate. We find excellent self-consistent convergence from high to extremely low (as low as $50~mK$) temperatures. We further examine the solidity of FV-SP method by changing external variables such as the electrochemical potential and the accumulative top gate voltage. Our approach allows for counting electron-electron interactions. Our results demonstrate that FV-SP approach is a powerful tool to solve effective-mass Hamiltonians.
format Preprint
id arxiv_https___arxiv_org_abs_2112_15375
institution arXiv
publishDate 2021
record_format arxiv
spellingShingle The cell-centered Finite-Volume self-consistent approach for heterostructures: 1D electron gas at the Si-SiO2 interface
Mosallanejad, Vahid
Li, Haiou
Cao, Gang
Chiu, Kuei-Lin
Dou, Wenjie
Guo, Guo-ping
Mesoscale and Nanoscale Physics
Achieving self-consistent convergence with the conventional effective-mass approach at ultra-low temperatures (below $4.2~K$) is a challenging task, which mostly lies in the discontinuities in material properties (e.g., effective-mass, electron affinity, dielectric constant). In this article, we develop a novel self-consistent approach based on cell-centered Finite-Volume discretization of the Sturm-Liouville form of the effective-mass Schr{ö}dinger equation and generalized Poisson's equation (FV-SP). We apply this approach to simulate the one-dimensional electron gas (1DEG) formed at the Si-SiO$_2$ interface via a top gate. We find excellent self-consistent convergence from high to extremely low (as low as $50~mK$) temperatures. We further examine the solidity of FV-SP method by changing external variables such as the electrochemical potential and the accumulative top gate voltage. Our approach allows for counting electron-electron interactions. Our results demonstrate that FV-SP approach is a powerful tool to solve effective-mass Hamiltonians.
title The cell-centered Finite-Volume self-consistent approach for heterostructures: 1D electron gas at the Si-SiO2 interface
topic Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2112.15375