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

Chemistry

• Perovskite 100%
• First Principle 100%
• Optimization 66%
• Atomic Force Microscopy 66%
• Electron Particle 33%
• Wave 33%
• Density Functional Theory 33%
• Ion 33%
• Density of State 33%
• Antiferromagnetic 33%
• Lattice Parameter 33%
• Electronic State 33%
• Transition Element 33%
• Nonconductor 33%
• Generalized Gradient Approximation 33%

INIS

• perovskites 100%
• optimization 66%
• afm 66%
• prediction 33%
• ions 33%
• origin 33%
• coupling 33%
• approximations 33%
• spin 33%
• electrons 33%
• lattice parameters 33%
• density functional method 33%
• density of states 33%
• antiferromagnetism 33%
• electronic structure 33%
• transition metals 33%
• wave propagation 33%

Physics

• Calculation 100%
• First-Principles 100%
• Optimization 66%
• Cores 33%
• Insulators 33%
• Spin 33%
• Ion 33%
• Electronic Structure 33%
• Transition Element 33%
• Transition Metal 33%
• Density of States 33%
• Electrons 33%
• Density Functional Theory 33%
• Plane Wave 33%