2018/07/27 by Gergő Thiering, Thiering, Gergő, Ádám Gali +1
Engineering · Materials Science · #Diamond and Carbon-based Materials Research #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Quantum Physics (quant-ph) #Semiconductor materials and devices
paper · pdf · doi:10.48550/arxiv.1807.10632
openalex publication_date 2018/07/27 · openalex created_date 2018/08/03 · openalex updated_date 2026/07/28
The product Jahn-Teller (pJT) effect may occur for such coupled electron-phonon systems in solids where single electrons occupy double degenerate orbitals. We propose that the excited state of the neutral XV split-vacancy complex in diamond, where X and V labels a group-IV impurity atom of X=Si, Ge, Sn, Pb and the vacancy, respectively, is such a system with eg and eu double degenerate orbitals and Eg quasi-localized phonons. We develop and apply ab initio theory to quantify the strength of electron-phonon coupling for neutral XV complexes in diamond, and find a significant impact on the corresponding optical properties of these centers. Our results show good agreement with recent experimental data on the prospective SiV(0) quantum bit, and reveals the complex nature of the excited states of neutral XV color centers in diamond.