Antisite defect qubits in monolayer transition metal dichalcogenides

Abstract

Being atomically thin and amenable to external controls, two-dimensional (2D) materials offer a new paradigm for the realization of patterned qubit fabrication and operation at room temperature for quantum information sciences applications. Here we show that the antisite defect in 2D transition metal dichalcogenides (TMDs) can provide a controllable solid-state spin qubit system. Using high-throughput atomistic simulations, we identify several neutral antisite defects in TMDs that lie deep in the bulk band gap and host a paramagnetic triplet ground state. Our in-depth analysis reveals the presence of optical transitions and triplet-singlet intersystem crossing processes for fingerprinting these defect qubits. As an illustrative example, we discuss the initialization and readout principles of an antisite qubit in WS2, which is expected to be stable against interlayer interactions in a multilayer structure for qubit isolation and protection in future qubit-based devices. Our study opens a new pathway for creating scalable, room-temperature spin qubits in 2D TMDs.

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Cited by in corpus (11)

• A substitutional quantum defect in WS${}_2$ discovered by high-throughput computational screening and fabricated by site-selective STM manipulation
• Controlled defect production in monolayer MoS2 via electron irradiation at ultralow accelerating voltages
• Effects of CVD Growth Parameters on Global and Local Optical Properties of MoS${}_2$ Monolayers
• Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS2 monolayers
• Excitonic response in TMD heterostructures from first-principles: impact of stacking, twisting, and interlayer distance
• Band structures and ${\mathbb{Z}}_2$ invariants of two-dimensional transition metal dichalcogenide monolayers from fully-relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals
• Quantum Defects in 2D Transition Metal Dichalcogenides for Terahertz Technologies
• First-principles computational methods for quantum defects in two-dimensional materials: A perspective
• Simulating optically-active spin defects with a quantum computer
• The electronic structure of intrinsic magnetic topological insulator MnBi2Te4 quantum wires
• Tunable phononic coupling in excitonic quantum emitters