Optimization of doping, bias, and geometry in SiC p-i-n diodes reduces charge noise and optical linewidth for embedded divacancy spin centers, with a new leakage-current noise formalism mitigated by defect placement away from surfaces.
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LDA outperforms other functionals for monovacancy formation energies in fcc metals, while the LAK meta-GGA yields the highest accuracy for interstitials in diamond silicon, approaching QMC benchmarks.
rt-TDDFT simulations show ultrafast laser excitation induces C3v symmetry breaking in NV- centers via minority-spin electron promotion, dynamic Jahn-Teller distortions, and propagating coherent phonons at ~2 Å/fs.
citing papers explorer
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Enhancing Coherence of Spin Centers in p-n Diodes via Optimization Algorithms
Optimization of doping, bias, and geometry in SiC p-i-n diodes reduces charge noise and optical linewidth for embedded divacancy spin centers, with a new leakage-current noise formalism mitigated by defect placement away from surfaces.
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Rationalizing defect formation energies in metals and semiconductors with semilocal density functionals
LDA outperforms other functionals for monovacancy formation energies in fcc metals, while the LAK meta-GGA yields the highest accuracy for interstitials in diamond silicon, approaching QMC benchmarks.
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Ultrafast Laser Induces Macroscopic Symmetry-Breaking of Diamond Color Centers
rt-TDDFT simulations show ultrafast laser excitation induces C3v symmetry breaking in NV- centers via minority-spin electron promotion, dynamic Jahn-Teller distortions, and propagating coherent phonons at ~2 Å/fs.