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

Abstract

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$\ddot{u}$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.

References in corpus (14)

• Quantum Spin Hall Effect in Graphene
• Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
• $Z_2$ Topological Order and the Quantum Spin Hall Effect
• Quantum Spin Hall Effect
• Quantum Spin Hall Effect and Topological Field Effect Transistor in Two-Dimensional Transition Metal Dichalcogenides
• Kwant: a software package for quantum transport
• Monolayer Topological Insulators: Silicene, Germanene and Stanene
• Electrical resistance: an atomistic view
• Overcoming Boltzmann's Tyranny in a Transistor via the Topological Quantum Field Effect
• Generalization and applicability of the Landauer formula for non-equilibrium current in the presence of interactions
• Fast electrically switchable large gap quantum spin Hall states in MGe${}_2$Z${}_4$
• Spontaneous breaking of time-reversal symmetry at the edges of 1T' monolayer transition metal dichalcogenides
• Tight-Binding Device Modeling of 2-D Topological Insulator Field-Effect Transistors With Gate-Induced Phase Transition
• Designing Extremely Low-Power Topological Transistors with 1T'-MoS2 and HZO for Cryogenic Applications