Details

Autor(en) / Beteiligte

• Cheng, G.D.
• Wan, Y.P.
• Yan, S.Y.
• Liu, Z.H.
• Su, L.L.

Titel

Single CrSi center in beta-SiO2 as a qubit application

Ist Teil von

• Physics letters. A, 2022-10, Vol.450, p.128386, Article 128386

Ort / Verlag

Elsevier B.V

Erscheinungsjahr

2022

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• A neutral CrSi center which consists of substituted chromium in the silicon site in beta-SiO2 was investigated by first-principles calculations. According to the spin-polarized electronic structures calculations, we found that the neutral CrSi center possesses a triplet ground state and the spin-conserved excited state was similar to NV−1 center in diamond. Moreover, combined with the first-principles calculations and perturbation theory, the spin zero-field splitting parameters of CrSi centers under different compression strains were calculated. The zero-field splitting parameters of the neutral CrSi center change significantly due to different strains. Based on all theoretical calculations and analysis, neutral CrSi centers are promising candidates for quantum strain sensor applications. •We found a neutral CrSi center in beta-SiO2 that was similar to NV−1 center in diamond.•The discrepancy of energy between ZPL photons in CrSi center and NV−1 center is about 0.2 eV, which indicates that the Cr4+ center had similar optical properties with NV−1 center.•Combined with the first-principles calculations and perturbation theory, the spin zero-field splitting parameters of CrSi centers under different compression strains were calculated.•According to our calculations, the CrSi center provides us with a guide and an effective method to detect the strains.