Intralevel Optical Transitions of XV (XV = BV, SiV, and NV) Centers in Fluorinated Diamane

IF 9.6 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Letters Pub Date : 2025-03-04 DOI:10.1021/acs.nanolett.4c06343

Longbin Yan, Shaobo Cheng, Yalun Ku, Dongyang Wang, Taiqiao Liu, Xing Li, Zhaofu Zhang, Chongxin Shan

{"title":"Intralevel Optical Transitions of XV (XV = BV, SiV, and NV) Centers in Fluorinated Diamane","authors":"Longbin Yan, Shaobo Cheng, Yalun Ku, Dongyang Wang, Taiqiao Liu, Xing Li, Zhaofu Zhang, Chongxin Shan","doi":"10.1021/acs.nanolett.4c06343","DOIUrl":null,"url":null,"abstract":"The brightness of single-photon sources in bulk diamond is limited by its low quantum efficiency. The recently synthesized fluorinated two-layer diamond film (F-diamane) offers an opportunity to enhance photon extraction due to the proximity of color centers to the surface. In this study, we explored three promising defects (BV, SiV, and NV) in F-diamane using density functional theory to assess their potential for single-photon emission. The results show that F-diamane has an ideal electronic structure with a wide band gap, free from inter-band gap states and surface magnetic spins. Additionally, the SiV and NV defects have lower formation energies than those in bulk diamond, suggesting that these defects can be more easily synthesized in F-diamane. Furthermore, the SiV– and NV– centers exhibit optical activity in the visible spectrum with high radiative recombination rates. These findings highlight F-diamane as a promising platform for next-generation quantum emitters and qubits, advancing quantum information processing.","PeriodicalId":53,"journal":{"name":"Nano Letters","volume":"130 1","pages":""},"PeriodicalIF":9.6000,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nano Letters","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1021/acs.nanolett.4c06343","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

The brightness of single-photon sources in bulk diamond is limited by its low quantum efficiency. The recently synthesized fluorinated two-layer diamond film (F-diamane) offers an opportunity to enhance photon extraction due to the proximity of color centers to the surface. In this study, we explored three promising defects (BV, SiV, and NV) in F-diamane using density functional theory to assess their potential for single-photon emission. The results show that F-diamane has an ideal electronic structure with a wide band gap, free from inter-band gap states and surface magnetic spins. Additionally, the SiV and NV defects have lower formation energies than those in bulk diamond, suggesting that these defects can be more easily synthesized in F-diamane. Furthermore, the SiV^– and NV^– centers exhibit optical activity in the visible spectrum with high radiative recombination rates. These findings highlight F-diamane as a promising platform for next-generation quantum emitters and qubits, advancing quantum information processing.

Abstract Image

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

来源期刊

Nano Letters 工程技术-材料科学：综合

CiteScore

16.80

自引率

2.80%

发文量

1182

审稿时长

1.4 months

期刊介绍： Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including: - Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale - Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies - Modeling and simulation of synthetic, assembly, and interaction processes - Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance - Applications of nanoscale materials in living and environmental systems Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.