First-principles modeling of electrostatics and transport in 2D topological transistors

Fuente: arXiv
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Autori principali: Choi, Hyeonseok, Park, Yosep, Lim, Subeen, Lee, Yeonghun
Natura: Preprint
Pubblicazione: 2026
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author Choi, Hyeonseok
Park, Yosep
Lim, Subeen
Lee, Yeonghun
author_facet Choi, Hyeonseok
Park, Yosep
Lim, Subeen
Lee, Yeonghun
contents We develop a simulation framework for electrostatic and transport modeling of 2D Topological insulator field-effect transistor (2D TIFETs), based solely on first-principles calculations using density functional theory (DFT). We find that careful consideration of basis set and symmetry constraints in DFT calculations is crucial for determining critical electric field ($E_c$), defined as the electric field intensity at which the topological phase transition occurs. Using ballistic Landauer-B$ü$ttiker formula and local potential profile, the drain current-gate bias voltage ($I_D$-$V_G$) characteristics were obtained and switching behavior was studied. A comparison with the $\mathbf{k}\cdot\mathbf{p}$ model reveals the necessity of DFT calculations for investigating realistic edge dispersions. Our approach provides an efficient and rigorous simulation methodology for mesoscopic transport in 2D TIFETs.
format Preprint
id arxiv_https___arxiv_org_abs_2603_13714
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle First-principles modeling of electrostatics and transport in 2D topological transistors
Choi, Hyeonseok
Park, Yosep
Lim, Subeen
Lee, Yeonghun
Mesoscale and Nanoscale Physics
We develop a simulation framework for electrostatic and transport modeling of 2D Topological insulator field-effect transistor (2D TIFETs), based solely on first-principles calculations using density functional theory (DFT). We find that careful consideration of basis set and symmetry constraints in DFT calculations is crucial for determining critical electric field ($E_c$), defined as the electric field intensity at which the topological phase transition occurs. Using ballistic Landauer-B$ü$ttiker formula and local potential profile, the drain current-gate bias voltage ($I_D$-$V_G$) characteristics were obtained and switching behavior was studied. A comparison with the $\mathbf{k}\cdot\mathbf{p}$ model reveals the necessity of DFT calculations for investigating realistic edge dispersions. Our approach provides an efficient and rigorous simulation methodology for mesoscopic transport in 2D TIFETs.
title First-principles modeling of electrostatics and transport in 2D topological transistors
topic Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2603.13714