%0 Journal Article
%A Ishida, H.
%A Liebsch, A.
%T Embedding approach for dynamical mean-field theory of strongly correlated heterostructures
%J Physical review / B
%V 79
%N 4
%@ 1098-0121
%C College Park, Md.
%I APS
%M PreJuSER-7688
%P 045130
%D 2009
%Z 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)
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000262978400046
%R 10.1103/PhysRevB.79.045130
%U https://juser.fz-juelich.de/record/7688