Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).
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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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Systematic dynamical mean-field theory study of 3d perovskite oxides with uniform Coulomb interactions
Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).
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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.