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Title: Crystal-field polarization and the insulating gap in FeO, CoO, NiO, and La sub 2 CuO sub 4 (US). [FeO; CoO; NiO; La d2CuO d ix]

Abstract

An orbital polarization correction to local spin density (LSD) theory is developed in a crystal field basis, and applied to FeO, CoO, NiO, and La{sub 2}CuO{sub 4}. The result is a substantial enhancement of the LSD band gap for NiO, and the creation of an insulating ground state for FeO, CoO, and La{sub 2}CuO{sub 4}.

Authors:
 [1]
  1. Materials Science Division, Argonne National Laboratory, Argonne, IL (USA)
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL
OSTI Identifier:
5391245
DOE Contract Number:  
W-31109-ENG-38
Resource Type:
Journal Article
Journal Name:
Physical Review, B: Condensed Matter; (United States)
Additional Journal Information:
Journal Volume: 44:3; Journal ID: ISSN 0163-1829
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COBALT OXIDES; ENERGY GAP; IRON OXIDES; LANTHANUM COMPOUNDS; NICKEL OXIDES; CRYSTAL FIELD; CUPRATES; DENSITY; ELECTRICAL INSULATORS; GROUND STATES; MAGNETIC PROPERTIES; POLARIZATION; SPIN; ANGULAR MOMENTUM; CHALCOGENIDES; COBALT COMPOUNDS; COPPER COMPOUNDS; ELECTRICAL EQUIPMENT; ENERGY LEVELS; EQUIPMENT; IRON COMPOUNDS; NICKEL COMPOUNDS; OXIDES; OXYGEN COMPOUNDS; PARTICLE PROPERTIES; PHYSICAL PROPERTIES; RARE EARTH COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; 360204* - Ceramics, Cermets, & Refractories- Physical Properties; 656100 - Condensed Matter Physics- Superconductivity

Citation Formats

Norman, M R. Crystal-field polarization and the insulating gap in FeO, CoO, NiO, and La sub 2 CuO sub 4 (US). [FeO; CoO; NiO; La d2CuO d ix]. United States: N. p., 1991. Web. doi:10.1103/PhysRevB.44.1364.
Norman, M R. Crystal-field polarization and the insulating gap in FeO, CoO, NiO, and La sub 2 CuO sub 4 (US). [FeO; CoO; NiO; La d2CuO d ix]. United States. doi:10.1103/PhysRevB.44.1364.
Norman, M R. Mon . "Crystal-field polarization and the insulating gap in FeO, CoO, NiO, and La sub 2 CuO sub 4 (US). [FeO; CoO; NiO; La d2CuO d ix]". United States. doi:10.1103/PhysRevB.44.1364.
@article{osti_5391245,
title = {Crystal-field polarization and the insulating gap in FeO, CoO, NiO, and La sub 2 CuO sub 4 (US). [FeO; CoO; NiO; La d2CuO d ix]},
author = {Norman, M R},
abstractNote = {An orbital polarization correction to local spin density (LSD) theory is developed in a crystal field basis, and applied to FeO, CoO, NiO, and La{sub 2}CuO{sub 4}. The result is a substantial enhancement of the LSD band gap for NiO, and the creation of an insulating ground state for FeO, CoO, and La{sub 2}CuO{sub 4}.},
doi = {10.1103/PhysRevB.44.1364},
journal = {Physical Review, B: Condensed Matter; (United States)},
issn = {0163-1829},
number = ,
volume = 44:3,
place = {United States},
year = {1991},
month = {7}
}