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Oxygen vacancies and antiferromagnetism in La/sub 2/CuO/sub 4/

Journal Article · · Phys. Rev. B: Condens. Matter; (United States)
Self-consistent spin-polarized band-structure calculations have been carried out on stoichiometric La/sub 2/CuO/sub 4/ and two ordered oxygen-vacancy supercells corresponding to La/sub 2/CuO/sub 3.75/. Both the tetragonal and orthorhombic structures are considered. No stable antiferromagnetic moment is found and the presence of oxygen vacancies appears to further reduce any tendency to antiferromagnetic ordering. Ba and Sr doping are also shown to reduce antiferromagnetism
Research Organization:
Department of Physics and Astronomy, University of Maryland, College Park, Maryland 20742
OSTI ID:
5220999
Journal Information:
Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 37:13; ISSN PRBMD
Country of Publication:
United States
Language:
English