2017/10/31 by E. Londero, Elisa Londero, E. Bourgeois +5 · 21 citations
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Ab initio #Ab initio quantum chemistry methods #Chemistry #Computational chemistry #Crystallography #Electron and X-Ray Spectroscopy Techniques #Identification (biology) #Ion-surface interactions and analysis #Materials science #Metallurgy #Molecular physics #Molecule #Nickel #Optoelectronics #Photocurrent #Physics #Quantum mechanics #Semiconductor materials and devices #Spectral line #Vacancy defect #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.97.241202
published in Physical review. B./Physical review. B 97(24) (American Physical Society) · 3 figures, 2 tables
openalex created_date 2017/10/20 · arxiv created 2018/04/20 · openalex publication_date 2018/06/12 · arxiv updated 2018/06/20 · openalex updated_date 2026/08/05
There is a continuous search for solid state spin qubits operating at room temperature with excitation in the infrared communication bandwidth. Recently, we have introduced the photoelectric detection of magnetic resonance (PDMR) to read the electron spin state of nitrogen-vacancy (NV) centers in diamond, a technique which is promising for applications in quantum information technology. By measuring the photoionization spectra on a diamond crystal, we found two ionization thresholds of unknown origin. On the same sample we also observed absorption and photoluminescence signatures that were identified in the literature as Ni-associated defects. We performed ab initio calculations of the photoionization cross section of the nickel split-vacancy complex (NiV) and N-related defects in their relevant charge states and fitted the concentration of these defects to the measured photocurrent spectrum, which led to a surprising match between experimental and calculated spectra. This study enabled us to identify the two unknown ionization thresholds with the two acceptor levels of NiV. Because the excitation of NiV is in the infrared, the photocurrent detected from the paramagnetic NiV color centers is a promising way towards the design of electrically readout qubits.