Structural stability and magnetism of FeN from first principles
Idioma
en
Article de revue
Este ítem está publicado en
Physical Review B: Condensed Matter and Materials Physics (1998-2015). 2007, vol. 75, n° 6, p. 064420 (6 p.)
American Physical Society
Resumen en inglés
In the framework of density-functional theory, the structural and magnetic properties of FeN mononitride have been investigated using the all-electron augmented spherical wave method with a generalized gradient approximation ...Leer más >
In the framework of density-functional theory, the structural and magnetic properties of FeN mononitride have been investigated using the all-electron augmented spherical wave method with a generalized gradient approximation functional for treating the effects of exchange and correlation...< Leer menos
Palabras clave en inglés
Density functional theory
FeN
Inorganic compounds
Spin
Polarization
Transport phenomena
Metal
Orígen
Importado de HalCentros de investigación