Ab initio research on a new type of half-metallic double perovskites, A₂CrMO₆ (A = IVA group elements; M = Mo, Re and W)

INIS

• correlations 100%
• approximations 100%
• perovskite 100%
• perovskites 100%
• stability 50%
• ions 50%
• corrections 50%
• optimization 50%
• electrons 50%
• density functional method 50%
• hybridization 50%

Earth and Planetary Sciences

• Research 100%
• Perovskite 100%
• Correlation 66%
• Generalized Gradient Approximation 66%
• Examination 33%
• Stable 33%
• Parameter 33%
• Optimization 33%
• Ion 33%
• Correction 33%
• Addition 33%
• Electron 33%
• Density Functional Theory 33%

Physics

• Sites 33%
• Optimization 33%
• Parameter 33%
• Correction 33%
• Structural Stability 33%
• Ion 33%
• Electrons 33%
• Density Functional Theory 33%