An approximation technique estimates electron-phonon coupling in solid-state defects from excited-state forces computed at the ground-state geometry, benchmarked on three defect systems and shown to bound the accepting-mode Huang-Rhys factor.
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cond-mat.mtrl-sci 2years
2025 2verdicts
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First-principles calculations predict the Mo_Zn-V_O complex in ZnO as an optically addressable spin qubit with high quantum yield, small Huang-Rhys factor of ~5, and T2 ~4 ms limited by 0.035 ppm impurities.
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Approximate Excited-State Potential Energy Surfaces for Defects in Solids
An approximation technique estimates electron-phonon coupling in solid-state defects from excited-state forces computed at the ground-state geometry, benchmarked on three defect systems and shown to bound the accepting-mode Huang-Rhys factor.
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Deep Spin Defects in Zinc Oxide for High-Fidelity Single-Shot Readout
First-principles calculations predict the Mo_Zn-V_O complex in ZnO as an optically addressable spin qubit with high quantum yield, small Huang-Rhys factor of ~5, and T2 ~4 ms limited by 0.035 ppm impurities.