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Title: Microscopic model of the Mott-Hubbard localization

Journal Article · · Physical Review, B: Condensed Matter; (United States)
 [1];  [2]
  1. Institute of Theoretical Physics, Warsaw University, PL-00-681 Warszawa, ul.Hoza 69 (Poland) Department of Physics, Purdue University, West Lafayette, Indiana 47907 (United States)
  2. Institute of Physics, Technical University, PL-30-084 Krakow (Poland)

We devise a variational approach to the metal-insulator transition (MIT) that combines the Mott and Hubbard aspects of localization. Starting from the Gutzwiller approach, we optimize the ground-state energy not only with respect to the double occupancy {eta}, but also with respect to the single-particle wave functions, which enter the energy via expressions for the Coulomb interaction {ital U} and for the bare bandwidth {ital W}. In effect, we obtain a theory of the MIT without resorting to a parametrization in terms of {ital U}/{ital W}. The effective mass close to the MIT is strongly enhanced even when the transition is discontinuous.

DOE Contract Number:
FG02-90ER45427
OSTI ID:
7205827
Journal Information:
Physical Review, B: Condensed Matter; (United States), Vol. 45:7; ISSN 0163-1829
Country of Publication:
United States
Language:
English