Robust half-metallic antiferromagnets LaAVOs O6 and LaAMoY O6 (A=Ca, Sr,Ba; Y=Re, Tc) from first-principles calculations

Engineering & Materials Science

• Density functional theory 36%
• Electronic structure 36%
• Electrons 24%
• Ions 22%
• Lattice constants 36%
• Perovskite 100%
• Structural optimization 27%
• Transition metals 35%

Physics & Astronomy

• approximation 12%
• atomic force microscopy 37%
• density functional theory 18%
• electronic structure 18%
• electrons 10%
• gradients 15%
• insulators 17%
• ions 11%
• optimization 31%
• perovskites 60%
• plane waves 20%
• predictions 13%
• projectors 26%
• transition metals 20%

Chemical Compounds

• Antiferromagnetic 23%
• Atomic Coordinate 30%
• Augmented Plane Wave Method 38%
• Density Functional Theory 15%
• Density of State 26%
• Electronic State 17%
• Ion 9%
• Lattice Constant 27%
• Nonconductor 27%
• Transition Element 17%
• Wave 22%