RSC Advances

An international journal to further the chemical sciences


The role of exchange–correlation functional on the description of multiferroic properties using density functional theory: the ATiO3 (A = Mn, Fe, Ni) case study

Corresponding authors
Department of Chemistry, State University of Ponta Grossa, Av. Gen. Carlos Cavalcanti, 4748, Ponta Grossa, Brazil
Fax: +55 4242203042
CNR-ISTM Istituto di Scienze e Tecnologie Molecolari, Via Golgi 18, 20133 Milano, Italy
RSC Adv., 2016,6, 101216-101225

DOI: 10.1039/C6RA21465G
Received 26 Aug 2016, Accepted 18 Oct 2016
First published online 19 Oct 2016
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