TY - JOUR
T1 - Apical oxygens and correlation strength in electron- and hole-doped copper oxides
AU - Weber, Cédric
AU - Haule, Kristjan
AU - Kotliar, Gabriel
PY - 2010/9/8
Y1 - 2010/9/8
N2 - We use the local-density approximation in combination with the dynamical mean-field theory to carry out a comparative investigation of a typical electron-doped and a typical hole-doped copper oxide, NCCO, and LSCO, respectively. The parent compounds of both materials are strongly correlated electron systems in the vicinity of the metal to charge-transfer insulator transition. In NCCO the magnetic long-range order is essential to open a charge-transfer gap while Mott physics is responsible for the gap in LSCO. We highlight the role of the apical oxygens in determining the strength of the correlations and obtaining overall good agreement between theory and several experimentally determined quantities. Results for optical conductivity, polarized x-ray absorption, and angle-resolved photoemission are presented and compared with experiments.
AB - We use the local-density approximation in combination with the dynamical mean-field theory to carry out a comparative investigation of a typical electron-doped and a typical hole-doped copper oxide, NCCO, and LSCO, respectively. The parent compounds of both materials are strongly correlated electron systems in the vicinity of the metal to charge-transfer insulator transition. In NCCO the magnetic long-range order is essential to open a charge-transfer gap while Mott physics is responsible for the gap in LSCO. We highlight the role of the apical oxygens in determining the strength of the correlations and obtaining overall good agreement between theory and several experimentally determined quantities. Results for optical conductivity, polarized x-ray absorption, and angle-resolved photoemission are presented and compared with experiments.
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U2 - 10.1103/PhysRevB.82.125107
DO - 10.1103/PhysRevB.82.125107
M3 - Article
AN - SCOPUS:77957733926
SN - 1098-0121
VL - 82
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 12
M1 - 125107
ER -