Ab initio derivation of an effective Hamiltonian for the La2CuO4/La1.55Sr0.45CuO4 heterostructure
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DOI: 10.1103/physrevb.99.155148
Abstract: We formulate a method of deriving effective low-energy Hamiltonian for nonperiodic systems such as interfaces for strongly correlated electron systems by extending conventional multi-scale $\textit{ab initio}$ scheme for correlated electrons (MACE). We apply the formalism… read more here.
Keywords: relaxation; hamiltonian la2cuo4; derivation effective; effective hamiltonian ... See more keywords