First-principles investigation of magnetism and electronic structures of substitutional 3d transition-metal impurities in bcc Fe

Keyphrases

• Electronic Structure 100%
• Magnetism 100%
• Generalized Gradient Approximation 100%
• Bcc Fe 100%
• Transition Metal Impurities 100%
• Transition Metal Atoms 100%
• Fe Atoms 100%
• First-principles Investigation 100%
• 3d Transition Metal 100%
• Slater-Pauling Curve 100%
• Impurity Site 100%
• Spin-orbit Coupling 50%
• Early Transition Metal 50%
• Solute 50%
• Magnetic Moment 50%
• Enthalpy of Formation 50%
• Lattice Parameter 50%
• Impurities 50%
• Spin Polarization 50%
• Experimental Values 50%
• Magnetic Structure 50%
• Magnetization 50%
• FEniCS 50%
• All-electron 50%
• Full-potential Linearized Augmented Plane Wave Method 50%
• Nearest-neighbor Interactions 50%
• Opposite Effects 50%
• Hyperfine Field 50%
• Impurity Atoms 50%
• Late Transition Metal 50%
• Local Spin Density Approximation 50%
• Antiferromagnetic Interaction 50%
• C(X) 50%
• Local Magnetic Moment 50%
• Ferromagnetic Body 50%
• Approximation Results 50%
• Fermi Contact 50%
• Steel Design 50%
• 3d Impurities 50%
• Body-centered Cubic Iron 50%
• Impurity Elements 50%
• Local Spin Polarization 50%
• Weak Ferromagnetic 50%
• Ferromagnetic Nature 50%
• Stoner Model 50%

Chemistry

• Transition Element 100%
• Electronic State 100%
• First Principle 100%
• Generalized Gradient Approximation 66%
• Spin Polarization 66%
• Magnetic Moment 66%
• Lattice Parameter 33%
• Antiferromagnetic 33%
• Augmented Plane Wave Method 33%
• Enthalpy of Formation 33%
• Spin-Orbit Coupling 33%
• Body-Centered Cubic Crystal System 33%
• Magnetic Structure 33%

Material Science

• Transition Metal 100%
• Electronic Structure 100%
• Magnetism 100%
• Spin Polarization 66%
• Lattice Constant 33%
• Density 33%