Properties of amorphous and crystalline titanium dioxide from first principles

Keyphrases

• Rutile 100%
• First-principles 100%
• Amorphous TiO2 100%
• Amorphous Titania 100%
• Crystalline Titania 100%
• Optical Properties 66%
• Crystalline Phase 66%
• Tail States 66%
• Amorphous Network 66%
• Structural Features 33%
• Two-peak 33%
• Structural Properties 33%
• Pair Correlation 33%
• Coordination number 33%
• First-principles Method 33%
• Angle Distribution 33%
• Edge-sharing 33%
• Electronic Properties 33%
• Anatase Phase 33%
• Electronic Density of States 33%
• Valence Band Edge 33%
• Conduction Band Edge 33%
• Static Dielectric Constant 33%
• Dielectric Function 33%
• Structural Electronics 33%
• Chemically Ordered 33%
• Inverse Participation Ratio 33%
• O Atom 33%
• Tetragonal Rutile 33%
• Crystalline TiO2 33%
• Amorphous Phase 33%
• Fundamental Absorption Edge 33%
• Rutile Phase 33%
• Topological Disorder 33%
• TiO2 Structures 33%

Engineering

• Crystalline Phase 100%
• Valence Band 50%
• Band Edge 50%
• Dielectric Function 50%
• Conduction Band Edge 50%
• Fundamental Absorption 50%
• Amorphous Phase 50%
• Absorption Edge 50%
• Static Dielectric Constant 50%

Material Science

• Titanium Dioxide 100%
• Optical Property 33%
• Density 16%
• Permittivity 16%
• Electronic Property 16%
• Titanium Oxide 16%
• Dielectric Material 16%