Investigation of possible half-metal material on double perovskites Sr ₂BBO ₆ (B, B=3d transition metal) using first-principle calculations

Physics

• Calculation 100%
• First-Principles 100%
• Metal 100%
• Transition Element 100%
• Transition Metal 100%
• Sites 50%
• Correction 50%
• Electronic Structure 50%
• Density Functional Theory 50%

INIS

• investigations 100%
• metals 100%
• transition metals 100%
• perovskites 100%
• interactions 50%
• corrections 50%
• approximations 50%
• density functional method 50%
• electronic structure 50%

Chemistry

• Perovskite 100%
• Metal 100%
• First Principle 100%
• Transition Element 100%
• Structure 50%
• Density Functional Theory 50%
• Electronic State 50%
• Generalized Gradient Approximation 50%