Spinel-type Na₂MoO₄ and Na₂WO₄ as promising optoelectronic materials: First-principle DFT calculations

Keyphrases

• Optoelectronic Materials 100%
• Density Functional Theory (DFT) Calculations 100%
• Na2MoO4 100%
• Na2WO4 100%
• Spinel-type 100%
• Optical Properties 40%
• Spinel 40%
• Mechanical Stability 40%
• Mechanical Properties 20%
• Enthalpy of Formation 20%
• Electronic Properties 20%
• Density Functional Theory 20%
• Full Potential 20%
• Wide Bandgap 20%
• Refractive Index 20%
• Light Absorption 20%
• Brittle Behavior 20%
• Dielectric Constant 20%
• Loss Factor 20%
• Thermodynamic Properties 20%
• Light Reflection 20%
• Lattice Constant 20%
• Thermodynamic Stability 20%
• Pugh's Ratio 20%
• Ultraviolet Region 20%
• Debye Temperature 20%
• Poisson's Ratio 20%
• Optoelectronic Applications 20%
• Cubic Phase 20%
• FP-LAPW 20%
• Stability Criteria 20%
• Optical Losses 20%
• Augmented Plane Wave Method 20%
• Reflection Loss 20%
• Light Loss 20%

Engineering

• Optoelectronics 100%
• Mechanical Stability 100%
• Good Agreement 50%
• Plane Wave 50%
• Refractive Index 50%
• Dielectrics 50%
• Poisson Ratio 50%
• Loss Factor 50%
• Thermodynamic Stability 50%
• Lattice Constant 50%
• Optical Loss 50%

Material Science

• Density 100%
• Optical Property 100%
• Mechanical Stability 100%
• Electronic Property 50%
• Refractive Index 50%
• Poisson Ratio 50%
• Lattice Constant 50%
• Permittivity 50%
• Optical Loss 50%