Dynamic correlation driven paramagnetic insulating state and optical properties of the cathode material rhombohedral LiNiO2 at room temperature

Keyphrases

• Room Temperature 100%
• Optical Properties 100%
• Cathode Material 100%
• State Property 100%
• Dynamic Correlation 100%
• Rhombohedral 100%
• Insulating State 100%
• LiNiO2 100%
• Density Functional Theory 60%
• Dynamical Mean-field Theory 60%
• Band Gap 40%
• Theory Calculation 40%
• Optical Absorption Spectra 40%
• Ligand Hole 40%
• Generalized Gradient Approximation 40%
• Density Functional Calculations 20%
• Charge Transfer 20%
• Fermi Energy 20%
• Magnetic Properties 20%
• Electronic Properties 20%
• Jahn-Teller Distortion 20%
• Symmetry Breaking 20%
• Structural Distortion 20%
• Drude 20%
• Quasiparticles 20%
• Half-metallic 20%
• Hybrid Functional 20%
• Approximation Functional 20%
• GW Method 20%
• Hole State 20%
• Temperature State 20%
• Structural Symmetry 20%
• Electronic Band Gap 20%
• Self-interaction Correction 20%
• Lithium-ion Battery Cathode 20%
• Many-body Methods 20%
• Charge-transfer Character 20%
• Charge Transfer Gap 20%

Chemistry

• Density Functional Theory 100%
• Ambient Reaction Temperature 100%
• Band Gap 100%
• Optical Property 100%
• Mean-Field Theory 100%
• Absorptivity 66%
• Absorption Spectra 66%
• Generalized Gradient Approximation 66%
• Ground State 33%
• Density of State 33%
• Electronic Property 33%
• Quasiparticle 33%
• Magnetic Property 33%
• Density Functional Theory 33%
• electronics 33%
• Lithium Ion Battery 33%

Material Science

• Density 100%
• Optical Property 100%
• Cathode Material 100%
• Absorption Spectra 50%
• Magnetic Property 25%
• Cathode 25%
• Electronic Property 25%
• Lithium Ion Battery 25%