TY  - JOUR
AU  - Ishida, H.
AU  - Liebsch, A.
TI  - Embedding approach for dynamical mean-field theory of strongly correlated heterostructures
JO  - Physical review / B
VL  - 79
IS  - 4
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-7688
SP  - 045130
PY  - 2009
N1  - 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)
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000262978400046
DO  - DOI:10.1103/PhysRevB.79.045130
UR  - https://juser.fz-juelich.de/record/7688
ER  -