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Electronic properties of new low-temperature superconductors: 3.3K (Ni2P2)(Sr4Sc2O6) and 2.7K (Ni2As2)(Sr4Sc2O6) from first principles
Superconducting (Ni2P2)(Sr4Sc2O6) (Ni2As2)(Sr4Sc2O6) structural electronic properties Fermi surface
2010/11/25
Based on first-principle FLAPW-GGA calculations, we have investigated structural and electronic properties of the recently synthesized tetragonal (space group P4/nmm) nickel-based pnictide oxide super...
First-principles modeling of the interactions of iron impurities with graphene and graphite
First-principles modeling of the interactions graphene graphite
2010/11/19
Results of first principles modelling of interactions graphene and graphite with iron
impurities predict the colossal difference between these two carbon allotropes. Insertion
of the iron atoms betw...