Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants

Keyphrases

• Negatively Charged 100%
• Hyperfine Coupling Constant 100%
• Supercells 100%
• Spin Density Distribution 100%
• NV Defects 100%
• Defect Formation 50%
• Electric 50%
• CRYSTAL Code 50%
• Local Geometry 50%
• Hybrid Functional 50%
• Density Function 50%
• Local Charge 50%
• Spin Density 50%
• Function Coupling 50%
• Triplet Ground State 50%
• Local Spin 50%
• Hyperfine Coupling 50%
• Charge-compensated 50%
• 13C Isotope 50%
• Fermi Contact 50%

Chemistry

• ESR-hyperfine Coupling Constant 100%
• EPR Spectroscopy 50%
• Gaussian Distribution 50%
• Local-Density Approximation 50%
• formation 50%
• Triplet Ground State 50%
• Hyperfine Coupling 50%

Physics

• Coupling Constant 100%
• Density Distribution 100%
• Gaussian Distribution 50%
• Electron Paramagnetic Resonance 50%
• Ground State 50%