Spin bags and quasiparticles in doped La sub 2 CuO sub 4

Journal Article · Thu Oct 01 04:00:00 EDT 1992 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.46.8440· OSTI ID:6958870

Grant, J B; McMahan, A K ^[1]

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1. Lawrence Livermore National Laboratory, University of California, Livermore, California 94550 (United States)

Limited configuration-interaction calculations beyond Hartree-Fock are reported for an {ital ab} {ital initio} derived eight-band effective Hamiltonian for La{sub 2}CuO{sub 4}. These results clearly implicate two important types of configurations, as well as the role of apical-O p{sub z} states, in the nature and dispersion of quasiparticle states associated with one hole doped into the parent insulator. The two types of configurations are spatially inhomogeneous spin bags'' centered about a flipped spin relative to the host antiferromagnetic order, and doped Neel'' configurations that leave the host spin order intact. Taken together these complementary parts are suggestive of the local singlet of Zhang and Rice. It is, however, the latter doped Neel configurations that carry those apical-O {ital p}{sub {ital z}} components that are primarily responsible for very shallow quasiparticle dispersion from {bold k}=({pi}/2,{pi}/2), where the first holes are doped, towards ({pi},0).

• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 6958870
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 46:13; ISSN PRBMD; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360207* -- Ceramics
Cermets
& Refractories-- Superconducting Properties-- (1992-)
665411 -- Basic Superconductivity Studies-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANGULAR MOMENTUM
CHALCOGENIDES
CONFIGURATION INTERACTION
COPPER COMPOUNDS
COPPER OXIDES
DOPED MATERIALS
HARTREE-FOCK METHOD
HIGH-TC SUPERCONDUCTORS
LANTHANUM COMPOUNDS
LANTHANUM OXIDES
MATERIALS
OXIDES
OXYGEN COMPOUNDS
PARTICLE PROPERTIES
QUASI PARTICLES
RARE EARTH COMPOUNDS
SLATER METHOD
SPIN
SUPERCONDUCTORS
TRANSITION ELEMENT COMPOUNDS