Calculated electronic properties of the mixed perovskites oxides : CaCu3T4O12 (T = Ti, Cr, Mn, Ru) within the DFT

Samir F. Matar (1) , M. A. Subramanian (2)

1 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux
2 Central Research & Development, Experimental Station

Electronic and magnetic properties of the mixed perovskites CaCu3T4O12 (T=Ti, Cr, Mn, Ru) are calculated ab initio starting from the experimental crystal data...

Mots clés: Mixed oxides; Perovskites; Chemical bonding; LSDA; DFT

Domaines: Matériaux

Samir F. Matar, M. A. Subramanian. Calculated electronic properties of the mixed perovskites oxides : CaCu3T4O12 (T = Ti, Cr, Mn, Ru) within the DFT. Materials Letters, 2004, 58 (5), pp.746-751. ⟨10.1016/j.matlet.2003.07.003⟩. ⟨hal-00136248⟩