Fluorine-terminated diamond (110) surfaces for nitrogen-vacancy quantum sensors. (30th June 2022)

• Record Type: Journal Article
• Authors: Shen, Wei; Wu, Gai; Li, Lijie; Li, Hui; Liu, Sheng; Shen, Shengnan; Zou, Diwei
• Is Part Of: Carbon. Volume 193(2022)
• Page Start: 17
• Page End: 25
• Publication Date: 2022-06-30
• Subjects: Nitrogen-vacancy -- Quantum sensor -- Diamond (110) surface -- Fluorine termination; Carbon -- Periodicals; Carbone -- Périodiques; Koolstof; Toepassingen; Electronic journals; 546.681
• DOI: 10.1016/j.carbon.2022.02.017
• Languages: English
• ISSNs: 0008-6223

Abstract

Abstract: Diamond (110) surface is one of the low-index diamond faces but its effects on nitrogen-vacancy (NV) based quantum sensor remain unclear. The fluorine, hydrogen, nitrogen, and oxygen-terminated diamond (110) surfaces used for the NV centers are proposed here, and their electronic properties are investigated based on first-principles calculations. The oxygen-terminated diamond (110) surface has inter-bandgap states and surface electron spins, the nitrogen-terminated (110) surface has inter-band gap states, and the hydrogen-terminated (110) surface has negative electron affinity. Thus, these three surfaces may not be suitable for shallow NV centers. The fluorine-terminated diamond (110) surface has positive electron affinity, no surface related inter bandgap states, and no surface electron spins, so it is a promising candidate for NV-based quantum sensors. Graphical abstract: Image 1