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Hauptverfasser: Zhang, Jingda, Quek, Su Ying
Format: Preprint
Veröffentlicht: 2023
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Online-Zugang:https://arxiv.org/abs/2311.11092
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author Zhang, Jingda
Quek, Su Ying
author_facet Zhang, Jingda
Quek, Su Ying
contents Substitutional transition metal (TM) point defects have recently been controllably introduced in two-dimensional (2D) transition metal dichalcogenides. We identify quantum defect candidates through a first-principles materials discovery approach with 25 TM elements substituting Mo and W in 2D MoS2 and WSe2, respectively. We elucidate trends in the charge transition levels for these 50 systems and report the existence of defects with spin-triplet ground states and a zero-field splitting (ZFS) in the terahertz (THz) regime, in contrast to typical gigahertz values. These defects can couple to resonant near-infrared radiation, providing a route to applications as high-fidelity qubits controlled by spin-dependent optical transitions. The THz ZFS implies that these high-fidelity operations can take place at higher temperatures compared to the case for GHz qubits. Our results also point toward the possibility of realising a single-photon THz emitter. This work broadens the scope of quantum defects, highlighting the opportunities for next generation THz quantum technologies - an area of growing interest given the rapid advancement in the development of THz sources and detectors.
format Preprint
id arxiv_https___arxiv_org_abs_2311_11092
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Quantum Defects in 2D Transition Metal Dichalcogenides for Terahertz Technologies
Zhang, Jingda
Quek, Su Ying
Materials Science
Substitutional transition metal (TM) point defects have recently been controllably introduced in two-dimensional (2D) transition metal dichalcogenides. We identify quantum defect candidates through a first-principles materials discovery approach with 25 TM elements substituting Mo and W in 2D MoS2 and WSe2, respectively. We elucidate trends in the charge transition levels for these 50 systems and report the existence of defects with spin-triplet ground states and a zero-field splitting (ZFS) in the terahertz (THz) regime, in contrast to typical gigahertz values. These defects can couple to resonant near-infrared radiation, providing a route to applications as high-fidelity qubits controlled by spin-dependent optical transitions. The THz ZFS implies that these high-fidelity operations can take place at higher temperatures compared to the case for GHz qubits. Our results also point toward the possibility of realising a single-photon THz emitter. This work broadens the scope of quantum defects, highlighting the opportunities for next generation THz quantum technologies - an area of growing interest given the rapid advancement in the development of THz sources and detectors.
title Quantum Defects in 2D Transition Metal Dichalcogenides for Terahertz Technologies
topic Materials Science
url https://arxiv.org/abs/2311.11092