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000007688 1001_ $$0P:(DE-HGF)0$$aIshida, H.$$b0
000007688 245__ $$aEmbedding approach for dynamical mean-field theory of strongly correlated heterostructures
000007688 260__ $$aCollege Park, Md.$$bAPS$$c2009
000007688 300__ $$a045130
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000007688 440_0 $$04919$$aPhysical Review B$$v79$$x1098-0121$$y4
000007688 500__ $$aOne of us (A. L.) would like to thank Theo Costi for comments. The work of H. I. was supported by the Grant-in-Aid for Scientific Research (Grant No. 20540191)
000007688 520__ $$aWe present an embedding approach based on localized basis functions which permits an efficient application of the dynamical mean-field theory (DMFT) to inhomogeneous correlated materials, such as semi-infinite surfaces and heterostructures. In this scheme, the semi-infinite substrate leads connected to both sides of the central region of interest are represented via complex energy-dependent embedding potentials that incorporate one-electron as well as many-body effects within the substrates. As a result, the number of layers which must be treated explicitly in the layer-coupled DMFT equation is greatly reduced. To illustrate the usefulness of this approach, we present numerical results for strongly correlated surfaces, interfaces, and heterostructures of the single-band Hubbard model.
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000007688 65320 $$2Author$$aHubbard model
000007688 65320 $$2Author$$astrongly correlated electron systems
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000007688 7001_ $$0P:(DE-Juel1)VDB941$$aLiebsch, A.$$b1$$uFZJ
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