Brinkman-Rice transition in the three-band Hubbard model

Journal Article · Tue Dec 01 04:00:00 EST 1992 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.46.14073· OSTI ID:6889933

Oguri, A; Asahata, T ^[1]

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1. Department of Applied Physics, Nagoya University, Nagoya 464-01 (Japan)

The [ital U][sub [ital d]]=[infinity] three-band Hubbard model on a two-dimensional CuO[sub 2] network is studied based on a Gutzwiller wave function by use of the variational Monte Carlo (VMC) method, where [ital U][sub [ital d]] is the Coulomb repulsion between holes on the Cu site (hole picture). The VMC results are compared with those of the Rice-Ueda-type Gutzwiller approximation (GA) in a half-filled band, where the average number of holes per Cu site is [ital n]=1. In the GA the Brinkman-Rice (BR) transition occurs at a finite value of [Delta][sub 0]=([var epsilon][sub [ital p]][minus][var epsilon][sub [ital d]])/2, and then the number of [ital d] holes becomes [ital n][sub [ital d]]=[ital n]=1. Whether the BR transition really occurs or not within the Gutzwiller wave function is discussed in detail. In finite systems the absence of the BR transition is shown analytically. The thermodynamic limit is examined assuming the asymptotic behavior of [ital n][sub [ital d]] is given by a scaling function. The results of the finite-size scaling analysis suggest the absence of the BR transition as that in the single-band Hubbard model.

• OSTI ID: 6889933
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 46:21; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

665411* -- Basic Superconductivity Studies-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CALCULATION METHODS
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
CRYSTAL MODELS
FUNCTIONS
HOLES
HUBBARD MODEL
MATHEMATICAL MODELS
MONTE CARLO METHOD
OXIDES
OXYGEN COMPOUNDS
SUPERCONDUCTORS
TRANSITION ELEMENT COMPOUNDS
WAVE FUNCTIONS