Quantum Defects in 2D Transition Metal Dichalcogenides for Terahertz Technologies.

Area of Science:

• Quantum computing
• Materials science
• Condensed matter physics

Background:

• Substitutional transition metal (TM) point defects are crucial for quantum technologies.
• Two-dimensional (2D) transition metal dichalcogenides (TMDs) offer a promising platform for hosting these defects.

Purpose of the Study:

• To identify quantum defect candidates in 2D TMDs by substituting Mo and W with 25 TM elements.
• To investigate the properties of these defects, focusing on their potential for quantum applications.

Main Methods:

• First-principles materials discovery approach.
• Computational screening of 25 TM elements in 2D MoS2 and WSe2.
• Analysis of charge transition levels and spin properties.

Main Results:

• Identified quantum defect candidates with spin-triplet ground states.
• Observed zero-field splitting (ZFS) in the terahertz (THz) regime, significantly higher than typical gigahertz (GHz) values.
• Demonstrated potential for coupling to near-infrared radiation for qubit control.

Conclusions:

• These THz ZFS defects offer a pathway to high-fidelity qubits operating at higher temperatures.
• The findings suggest the possibility of realizing single-photon THz emitters.
• This work expands the landscape of quantum defects for next-generation THz quantum technologies.