Identifying the ground state structures of point defects in solids

Keyphrases

• Ground State Structure 100%
• Defects in Solids 100%
• Sb2Se3 100%
• Physicochemical Parameters 50%
• Modeling Approach 50%
• Symmetry Breaking 50%
• Energy Transition 50%
• Atomic Configuration 50%
• Quantitative Modeling 50%
• Minimization Problem 50%
• Cadmium Telluride 50%
• Energy Charge 50%
• Gallium Arsenide 50%
• Indium Oxide 50%
• Universal Characteristic 50%
• Local Minimization 50%
• Formation Energy 50%
• Derived Properties 50%
• Energy Concentration 50%
• Energy Lowering 50%
• Anatase TiO2 50%
• Bond Distortion 50%
• Charge Transition Levels 50%

Material Science

• Crystal Defect 100%
• Point Defect 100%
• ZnO 33%
• Titanium Dioxide 33%
• Cerium Oxide 33%
• Gallium Arsenide 33%

Engineering

• Ground State 100%
• Experimental Measurement 33%
• Gallium Arsenide 33%
• Formation Energy 33%