English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Paramagnetic substitutional carbon (C$_\text{B}$, C$_\text{N}$) defects inhexagonal boron nitride (hBN) are discussed as candidates for quantum bits.Their identification and suitability are approached by means ofphotoluminescence (PL), charge transitions, electron paramagnetic resonance,and optically detected magnetic resonance (ODMR) spectra. Several clear trendsin these are revealed by means of an efficient plane wave periodic supercell\textit{ab initio} density functional theory approach. In particular, thisyields insight into the role of the separation between C$_\text{B}$ andC$_\text{N}$. In most of the cases the charge transition between the neutraland a singly charged ground state of a defect is predicted to be experimentallyaccessible, since the charge transition level (CTL) position lies within theband gap. \textit{A posteriori} charge corrections are also discussed. Anear-identification of an experimentally isolated single spin center as theneutral C$_\text{B}$ point defect was found via comparison of results torecently observed PL and ODMR spectra.

Towards $\textit{ab initio}$ identification of paramagnetic substitutional carbon defects in hexagonal boron nitride acting as quantum bits