First principles search of hard materials within the Si-C-N ternary sytem
Langue
en
Article de revue
Ce document a été publié dans
Solid Solid Sciences. 2004, vol. 6 (4), p. 315-323
Résumé en anglais
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 ...Lire la suite >
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)...< Réduire
Origine
Importé de halUnités de recherche