Half-metallic antiferromagnetic nature of La₂ VTcO₆ and La₂ VCuO₆ from ab initio calculations

Chemical Compounds

• Antiferromagnetic 64%
• Ab Initio Calculation 58%
• Augmented Plane Wave Method 53%
• Electronic State 49%
• Atomic Coordinate 41%
• Lattice Constant 37%
• Wave 31%
• Transition Element 24%
• Density Functional Theory 20%

Engineering & Materials Science

• Electronic structure 100%
• Perovskite 92%
• Density functional theory 50%
• Lattice constants 49%
• Transition metals 49%

Physics & Astronomy

• perovskites 56%
• electronic structure 50%
• projectors 37%
• transition metals 28%
• plane waves 27%
• density functional theory 25%
• optimization 22%
• gradients 21%
• approximation 17%