Density functional theory Electronic structure Electronic.structure 3 Calculations 2 Band flattening 1 Bilayer Graphene 1 Binary alloys 1 Brillouin zones 1 Cerium alloys 1 Chemical bonds 1 Critical pressures 1 Crystal lattices 1 Density-functional theory calculations 1 Electromagnetic environments 1 Electronic and magnetic properties 1 Fe intermetallics 1 First principles 1 First-principle density-functional theories 1 Flat band 1 Formation energies 1 Frontline 1 Geometric relaxation 1 Graphene 1 Hydrostatic pressure 1 Intermetallic materials 1 Intermetallics 1 Iron 1 Iron alloys 1 Iron intermetallics 1 Lattice constants 1