Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride
  • Metaadatok
Tartalom: http://real.mtak.hu/113904/
Archívum: REAL
Gyűjtemény: Status = Published
Subject = Q Science / természettudomány: QC Physics / fizika: QC06 Physics of condensed matter / szilárdtestfizika
Type = Article
Cím:
Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride
Létrehozó:
Ivády, Viktor
Barcza, Gergely
Thiering, Gergő
Li, Song
Hamdi, Hanen
Chou, Jyh-Pin
Legeza, Örs
Gali, Ádám
Dátum:
2020-04-24
Téma:
QC06 Physics of condensed matter / szilárdtestfizika
Tartalmi leírás:
Highly correlated orbitals coupled with phonons in two-dimension are identified for paramagnetic and optically active boron vacancy in hexagonal boron nitride by first principles methods which are responsible for recently observed optically detected magnetic resonance signal. Here, we report ab initio analysis of the correlated electronic structure of this center by density matrix renormalization group and Kohn-Sham density functional theory methods. By establishing the nature of the bright and dark states as well as the position of the energy levels, we provide a complete description of the magneto-optical properties and corresponding radiative and non-radiative routes which are responsible for the optical spin polarization and spin dependent luminescence of the defect. Our findings pave the way toward advancing the identification and characterization of room temperature quantum bits in two-dimensional solids.
Nyelv:
angol
Típus:
Article
PeerReviewed
info:eu-repo/semantics/article
Formátum:
text
Azonosító:
Ivády, Viktor and Barcza, Gergely and Thiering, Gergő and Li, Song and Hamdi, Hanen and Chou, Jyh-Pin and Legeza, Örs and Gali, Ádám (2020) Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride. npj Computational Materials. ISSN 2057-3960
Kapcsolat: