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Na-doped BiFeO₃demonstrates an enhanced p-type behavior compared to p-type BiFeO₃prepared without extrinsic dopants, and Na-doped BiFeO₃can serve as a photocathode for solar O₂reduction to H₂O₂when coupled with Ag nanoparticle catalysts.

 

Abstract Point defects in hexagonal boron nitride (hBN) are promising candidates as single-photon emitters (SPEs) in nanophotonics and quantum information applications. The precise control of SPEs requires in-depth understanding of their optoelectronic properties. However, how the surrounding environment of host materials, including the number of layers, substrates, and strain, influences SPEs has not been fully understood. In this work, we study the dielectric screening effect due to the number of layers and substrates, and the strain effect on the optical properties of carbon dimer and nitrogen vacancy defects in hBN from first-principles many-body perturbation theory. We report that environmental screening causes a lowering of the quasiparticle gap and exciton binding energy, leading to nearly constant optical excitation energy and exciton radiative lifetime. We explain the results with an analytical model starting from the Bethe–Salpeter equation Hamiltonian with Wannier basis. We also show that optical properties of quantum defects are largely tunable by strain with highly anisotropic response, in good agreement with experimental measurements. Our work clarifies the effect of environmental screening and strain on optoelectronic properties of quantum defects in two-dimensional insulators, facilitating future applications of SPEs and spin qubits in low-dimensional systems. 

Quantum information processing and quantum sensing is a central topic for researchers who are part of the Materials Research Society and the Quantum Staging Group is providing leadership and guidance in this context. We convened a workshop before the 2022 MRS Spring Meeting and covered four topics to explore challenges that need to be addressed to further promote and accelerate the development of materials with applications in quantum technologies. This article captures the discussions at this workshop and refers to the pertinent literature.