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024 7 _ |a 10.1103/PhysRevB.79.045130
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041 _ _ |a eng
082 _ _ |a 530
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|a Physics, Condensed Matter
100 1 _ |0 P:(DE-HGF)0
|a Ishida, H.
|b 0
245 _ _ |a Embedding approach for dynamical mean-field theory of strongly correlated heterostructures
260 _ _ |a College Park, Md.
|b APS
|c 2009
300 _ _ |a 045130
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440 _ 0 |0 4919
|a Physical Review B
|v 79
|x 1098-0121
|y 4
500 _ _ |a One 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)
520 _ _ |a We 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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653 2 0 |2 Author
|a Hubbard model
653 2 0 |2 Author
|a strongly correlated electron systems
700 1 _ |0 P:(DE-Juel1)VDB941
|a Liebsch, A.
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773 1 8 |a 10.1103/physrevb.79.045130
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|t Physical Review B
|v 79
|y 2009
|x 1098-0121
773 _ _ |a 10.1103/PhysRevB.79.045130
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856 7 _ |u http://dx.doi.org/10.1103/PhysRevB.79.045130
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