First principles search of hard materials within the Si-C-N ternary sytem
Idioma
en
Article de revue
Este ítem está publicado en
Solid Solid Sciences. 2004, vol. 6 (4), p. 315-323
Resumen en inglés
Starting from C3N4 and Si3N4 stoichiometries and from the pseudocubic model structure of the former, intermediate phases SiC2N4 and Si2CN4 are proposed and geometry optimised within density functional built pseudopotential ...Leer más >
Starting from C3N4 and Si3N4 stoichiometries and from the pseudocubic model structure of the former, intermediate phases SiC2N4 and Si2CN4 are proposed and geometry optimised within density functional built pseudopotential method using both local density (LDA) and generalised gradient approximations (GGA)...< Leer menos
Orígen
Importado de HalCentros de investigación