Revisiting the zero-temperature phase diagram of stoichiometric SrCoO3 with first-principles methods
Author:
Affiliation:
1. Center for Computation and Technology
2. Louisiana State University
3. Baton Rouge
4. USA
5. School of Materials Science and Engineering
6. UNSW Australia
7. Sydney
8. Australia
9. Integrated Materials Design Centre
Abstract
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.
Funder
Australian Research Council
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP06191E
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