Substitutional boron and nitrogen pairs in diamond. A quantum mechanical vibrational analysis

Keyphrases

• Quantum Mechanical 100%
• Boron 100%
• Impurities 100%
• Vibrational Analysis 100%
• Diamond 100%
• Defective System 100%
• Lattice Structure 50%
• Spectroscopic Characteristics 50%
• IR Spectra 50%
• Electronic Characteristics 50%
• C-C Bond 50%
• Vicinal 50%
• All-electron 50%
• B3LYP 50%
• Sharp Peak 50%
• Gaussian Basis Sets 50%
• Local Geometry 50%
• Atom Cell 50%
• Banded Structure 50%
• Supercells 50%
• Medium Intensity 50%
• A-centre 50%
• Host Lattice 50%
• Firm Identification 50%
• Zero Defects 50%

Chemistry

• IR Spectrum 100%
• Gaussian Distribution 100%
• DFT-B3LYP Calculation 100%
• Electronic Band Structure 100%
• Crystal System 100%
• electronics 100%
• Chemical Beam Epitaxy 100%

Engineering

• Diamond 100%
• Nitrogen Pair 100%
• Gaussians 50%
• Band Structure 50%
• Electronic State 50%
• Supercell 50%
• Host Lattice 50%