Abstract

Two dimensional van der Waals crystals and their heterostructures provide an exciting alternative to bulk wide bandgap semiconductors as hosts of single photon emitters. Amongst different layered materials, bright and robust defect-based single photon emitters have been observed within hexagonal boron nitride, a layered wide-bandgap semiconductor. Despite research efforts to date, the identities of the deep defects responsible for quantum emissions in hexagonal boron nitride remain unknown. In this theoretical work, I demonstrate that the strain-induced changes in emission frequencies depend on: (i) the detailed nature of the defect states involved in the optical excitations, and (ii) the rich boron chemistry that results in complex interactions between boron atoms. As each defect shows a distinct response to the strain, it can be used not only to tune emission frequencies, but also to identify the quantum emitters in hexagonal boron nitride.

Highlights

  • The discovery of quantum emitters in different twodimensional (2D) layered structures is a significant development in the search for qubit candidates for quantum technologies [1,2,3,4,5,6,7,8,9,10,11,12]

  • These van der Waals crystals and their heterostructures provide an exciting alternative to quantum emitters (QEs) within bulk wide-band-gap semiconductors

  • Out of all possible spin-active defects [31], I have selected three intrinsic defects of hexagonal boron nitride (hBN): a neutral nitrogen vacancy (VN0), a negatively charged boron vacancy (VB−1), and a neutral antisite complex comprised of a nitrogen vacancy next to a nitrogen substitutional (VNNB0)

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Summary

Introduction

The discovery of quantum emitters in different twodimensional (2D) layered structures is a significant development in the search for qubit candidates for quantum technologies [1,2,3,4,5,6,7,8,9,10,11,12]. In the case of hBN, experimental attempts to identify the defects are confounded by the widely varying properties of the QEs, such as their brightness, emission frequencies, and polarizations [6,9,11,17,18,19]. These variations are observed in different samples, which may be prepared using very different treatments, and within a sample.

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