This paper proposes a quantum science platform using dipole-dipole coupling between donor-acceptor pairs (DAPs) in wide-bandgap semiconductors to create optically controllable, long-range interactions between solid-state defects. Density functional theory (DFT) calculations investigated the electronic structure and interactions of DAPs in diamond and silicon carbide (SiC), identifying stable charge states and zero-phonon lines (ZPLs). Large electric dipole moments were predicted for several DAPs, leading to long-range interactions. While B-N pairs in diamond showed high electron-phonon coupling, SiC DAPs, particularly Al-N pairs, proved suitable for realizing long-range, optically controllable interactions.
Publisher
npj Computational Materials
Published On
Jan 06, 2024
Authors
Anil Bilgin, Ian N. Hammock, Jeremy Estes, Yu Jin, Hannes Bernien, Alexander A. High, Giulia Galli
Tags
quantum science
dipole-dipole coupling
donor-acceptor pairs
wide-bandgap semiconductors
long-range interactions
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