Electronic properties of oxygen vacancies in La/sub 2/CuO/sub 4-//sub y/
Journal Article
·
· Phys. Rev. B: Condens. Matter; (United States)
The electronic properties of oxygen vacancies in chemically pure La/sub 2/CuO/sub 4/ have been investigated by the ab initio pseudofunction method using a supercell geometry. Oxygen vacancies alter the electronic structure significantly, breaking up the 2-eV-wide partially filled conduction band into narrower bands, which are only about 0.1 eV wide in La/sub 2/CuO/sub 3.75/. Our results suggest that vacancy-induced narrow bands near the Fermi level could lead to the antiferromagnetic state observed in some nonstoichiometric La/sub 2/CuO/sub 4/ samples.
- Research Organization:
- Central Research and Development Department, E.I. du Pont de Nemours Company, Experimental Station, Wilmington, Delaware 19898
- OSTI ID:
- 5798206
- Journal Information:
- Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 36:13; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
Similar Records
Oxygen vacancies and antiferromagnetism in La/sub 2/CuO/sub 4/
Electronic structure and antiferromagnetism in La/sub 2/CuO/sub 4/
Oxygen-vacancy behavior in La/sub 2-//sub x/Sr/sub x/CuO/sub 4-//sub y/ by positron annihilation and oxygen diffusion
Journal Article
·
Sun May 01 00:00:00 EDT 1988
· Phys. Rev. B: Condens. Matter; (United States)
·
OSTI ID:5220999
Electronic structure and antiferromagnetism in La/sub 2/CuO/sub 4/
Conference
·
Wed Dec 31 23:00:00 EST 1986
·
OSTI ID:5510831
Oxygen-vacancy behavior in La/sub 2-//sub x/Sr/sub x/CuO/sub 4-//sub y/ by positron annihilation and oxygen diffusion
Journal Article
·
Tue Sep 01 00:00:00 EDT 1987
· Phys. Rev. B: Condens. Matter; (United States)
·
OSTI ID:6254765
Related Subjects
36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ANTIFERROMAGNETISM
BAND THEORY
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
ENERGY LEVELS
FERMI LEVEL
LANTHANUM COMPOUNDS
LANTHANUM OXIDES
MAGNETISM
OXIDES
OXYGEN COMPOUNDS
POINT DEFECTS
RARE EARTH COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
VACANCIES
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ANTIFERROMAGNETISM
BAND THEORY
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
ENERGY LEVELS
FERMI LEVEL
LANTHANUM COMPOUNDS
LANTHANUM OXIDES
MAGNETISM
OXIDES
OXYGEN COMPOUNDS
POINT DEFECTS
RARE EARTH COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
VACANCIES