Revisiting the zero-temperature phase diagram of stoichiometric SrCoO3 with first-principles methods

Pablo Rivero, Claudio Cazorla
2016 Physical Chemistry, Chemical Physics - PCCP  
By using first-principles methods based on density functional theory we revisited the zero-temperature phase diagram of stoichiometric SrCoO3, a ferromagnetic metallic perovskite that undergoes significant structural, electronic, and magnetic changes as its content of oxygen is decreased.
doi:10.1039/c6cp06191e pmid:27790669 fatcat:viu7yglls5fwjeplyaofvzwx3y