Potential new candidates for hard materials within the ternary XC3N3 (X = B, Al, Ga) stoichiometry

Emmanuel Betranhandy (1) , Samir F. Matar (1) , Richard Weihrich (2) , Gérard Demazeau (1)

1 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux
2 Institut für Anorganische Chemie

Starting from formerly investigated graphitic like C3N4, selective substitution of nitrogen with boron led to model structures for the experimentally observed BC3N3 stoichiometry. Similar investigations were extended to the 2nd- and 3rd-period elements Al and Ga...

Mots clés: Hard materials; Light elements; Compressebility modulus; DFT; LDA; US-PP; ELF

Domaines: Matériaux

Emmanuel Betranhandy, Samir F. Matar, Richard Weihrich, Gérard Demazeau. Potential new candidates for hard materials within the ternary XC3N3 (X = B, Al, Ga) stoichiometry. Comptes Rendus. Chimie, 2004, 7 (5), pp.529-535. ⟨10.1016/j.crci.2004.01.009⟩. ⟨hal-00143188⟩