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Hubbard-Thomas-Fermi Theory of Transition Metal Oxide Heterostructures | Wei-Cheng Lee
; A.H. MacDonald
; | Date: |
3 Aug 2007 | Abstract: | We demonstrate that the charge distributions in Hubbard-model representations
of transition metal oxide heterojucntions can be described by a Thomas-Fermi
theory in which the energy is approximated as the sum of the electrostatic
energy and the uniform three-dimensional Hubbard model energy per site at the
local density equals to a constant. When charged atomic layers in the oxides
are approximated as two-dimensional sheets with uniform charge density, the
electrostatic energy is simply evaluated. We find that this Thomas-Fermi theory
can reproduce results obtained from full Hartree-Fock theory for various
different heterostructures. We also show explicitly how Thomas-Fermi theory can
be used to estimate some key properties qualitatively. | Source: | arXiv, 0708.0554 | Services: | Forum | Review | PDF | Favorites |
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