Ignacio Chacón
University of Chile, Santiago, Chile _______________________________________
Carbon defects embedded in hexagonal boron nitride (hBN) have attracted significant attention due totheir behavior as single-photon emitters (SPEs). Their remarkable optical and quantum properties make them promising candidates for quantum technologies.
While paramagnetic carbon defects (CN or CB) and those with zero total spin (C2) are well-known, spin-active defects with S ≥ 1 are less common and have been predicted for a few cases like some CN –CN defects,and the tetramers C3N CB , C3B CN [1, 2]. The search for new candidates with triplet or higher spin states is of great interest for their potential applications.
In this poster, by means of DFT calculations, we present a set of carbon defects composed of two carbon monomers at different layers of hBN. Many of them have a triplet ground state, even at room temperature. A triplet state and a large C–C separation can shed light on some ODMR spectra with a zero-field splitting of a few MHz [3].
Figure 1: (left) Scheme of the C-defects studied (C atoms are black squares). (right) Photoluminisence spectrum of a couple of defects, most of them feature high-energy phonon replicas, but one defect has prominent peaks from low-energy out-fo-plane phonons.
[1] F. Pinilla, N. V´asquez, I. Chac´on, J. R. Maze, C. C´ardenas, and F. Munoz Phys. Scr., vol. 98, p. 095505, 2023.
[2] Z. Benedek, R. Babar, ´A. Ganyecz, T. Szilv´asi, ¨O. Legeza, G. Barcza, and V. Iv´ady Npj Comput. Mater., vol. 9,p. 187, 2023.
[3] S. C. Scholten, P. Singh, A. J. Healey, I. O. Robertson, G. Haim, C. Tan, D. A. Broadway, L. Wang, H. Abe,T. Ohshima, M. Kianinia, P. Reineck, I. Aharonovich, and J.-P. Tetienne Nat. Commun., vol. 15, p. 6727, 2024.
Email: amcar@dtu.dk