Ab-initio study of fundamental properties of ternary ZnO_{1- x}S_x alloys by using special quasi-random structures

Keyphrases

• Electronic Properties 100%
• Density Functional Theory 100%
• Optical Properties 100%
• Zinc Blende 100%
• Ab Initio Study 100%
• Special Quasirandom Structures 100%
• ZnO1-xSx Alloy 100%
• Sodium Chloride 50%
• Refractive Index 50%
• Nonlinear Behavior 50%
• Banded Structure 50%
• Band Gap Energy 50%
• Structural Properties 50%
• Doping Concentration 50%
• Partial Density of States 50%
• Structural Electronics 50%
• Structural Optimization 50%
• Energy Gap 50%
• Lattice Constant 50%
• Direct Band Gap 50%
• Photon Energy 50%
• Absorption Coefficient 50%
• Cohen 50%
• Local Orbitals 50%
• Generalized Gradient Approximation 50%
• Indirect Band Gap 50%
• Modified Becke-Johnson 50%
• Exchange Energy 50%
• FP-LAPW 50%
• Optical Conductivity 50%
• Dielectric Function 50%
• Total Density of States 50%
• Bulk Modulus 50%
• Binary Compounds 50%
• Semiconducting Behavior 50%
• Constant Modulus 50%
• Metallic Behavior 50%
• Full Potential Linearized Augmented Plane Wave 50%
• Rock-salt Phase 50%
• Optical Reflectivity 50%

Engineering

• Energy Gap 100%
• Plane Wave 33%
• Refractive Index 33%
• Band Gap Energy 33%
• Band Structure 33%
• Predicted Result 33%
• Nonlinear Behavior 33%
• Absorption Coefficient 33%
• Photon Energy 33%
• Generalized Gradient Approximation 33%
• Lattice Constant 33%
• Optical Reflectivity 33%
• Bulk Modulus 33%
• Dielectric Function 33%
• Incident Photon 33%
• Constant Modulus 33%
• Partial Density 33%

Material Science

• Density 100%
• Electronic Property 66%
• Optical Property 66%
• ZnO 33%
• Refractive Index 33%
• Dielectric Material 33%
• Elastic Moduli 33%
• Reflectivity 33%
• Lattice Constant 33%