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First‐principle simulations of the electronic structure of copper‐based oxide superconductors
Author(s) -
Yutoh Y.,
Sugihara S.
Publication year - 2003
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200301839
Subject(s) - superconductivity , condensed matter physics , electronic structure , copper oxide , materials science , oxide , lattice (music) , copper , physics , metallurgy , acoustics
The relationship between the transition temperature ( T c ) of an oxide superconductor and strain has been studied by means of experiments, with a focus an specimens that include an interface between a superconductor and a substrate. In the current study, we performed calculations on the bulk and the surface in order to investigate the electronic structures of the above systems. We calculated the electronic structure of La 2 CuO 4 bulk by employment of three‐dimensional boundary conditions and that of a La 2 CuO 4 surface by employment of two‐dimensional boundary conditions. The results for the bulk indicate that a relationship exists between the lattice parameters and T c of La 2 CuO 4 . We discuss the calculated results for the bulk and surface on the basis of the results of investigation of the differences in electronic structures. The results indicate that the surface retained the electronic structures of the bulk.