Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4, and Na2IrO3: Density functional, perturbation theory, and Madelung potential analyses-Reference-Cited by-同舟云学术

Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4, and Na2IrO3: Density functional, perturbation theory, and Madelung potential analyses

Published:2016-03-21 Issue:11 Volume:144 Page:114706
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Gordon Elijah E.¹^ORCID,Xiang Hongjun²³,Köhler Jürgen⁴,Whangbo Myung-Hwan¹

Affiliation:

1. Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, USA

2. Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, Collaborative Innovation Center of Advanced Microstructures, and Department of Physics, Fudan University, Shanghai 200433, People’s Republic of China

3. Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093, People’s Republic of China

4. Max-Planck-Institut für Festkörperforschung, D-70569 Stuttgart, Germany

Funder

U.S. Department of Energy (DOE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4943889

Reference66 articles.

1. Topological insulators and superconductors