Optimizing the depth-dependent nitrogen-vacancy center quantum sensor in diamane

TL;DR

This study explores the potential of diamane, a two-dimensional diamond, as a platform for nitrogen-vacancy (NV) centers, showing that surface passivation and layer control can enhance optical stability and coherence for quantum sensing.

Contribution

The paper demonstrates that diamane can host NV centers with improved optical and coherence properties through surface passivation and layer-dependent tuning.

Findings

Oxygen surface termination enables stable NV centers in diamane.

Layer-dependent NV centers show tunable optical properties.

Diamane hosts NV centers with long coherence times and enhanced stability.

Abstract

Negatively charged nitrogen-vacancy (NV) center in diamond is the representative solid state defect qubit for quantum information science, offering long coherence time at room temperature. To achieve high sensitivity and spatial resolution, shallow NV center near the surface are preferred. However, shallow NV center suffers from surface states and spin noise which reduce the photostability and coherence time. In this work, we systematically study the NV center in recently reported two-dimensional diamond, known as diamane--using first-principles calculations. We show that the quantum confinement in finite-layer diamane, with appropriate surface passivation, could significantly modify the band structure. In particular, we identify oxygen surface termination capable of hosting NV center in diamane while optimizing photostability compared to bulk diamond. Furthermore, layer-dependent NV center demonstrates tunable zero-phonon-line and suppressed phonon side band, while retaining long coherence time. Our findings highlight diamane as a promising platform for NV-based quantum information processing with improved optical properties and stability