TY - JOUR
T1 - Hole depletion of ladders in Sr 14Cu 24O 41 induced by correlation effects
AU - Ilakovac, V.
AU - Gougoussis, C.
AU - Calandra, M.
AU - Brookes, N. B.
AU - Bisogni, V.
AU - Chiuzbaian, S. G.
AU - Akimitsu, J.
AU - Milat, O.
AU - Tomić, S.
AU - Hague, C. F.
PY - 2012/2/7
Y1 - 2012/2/7
N2 - The hole distribution in Sr 14Cu 24O 41 is studied by low-temperature polarization-dependent O K near-edge x-ray absorption fine-structure measurements and state-of-the-art electronic structure calculations that include core-hole and correlation effects in a mean-field approach. Contrary to all previous analysis, based on semiempirical models, we show that correlations and antiferromagnetic ordering favor the strong chain-hole attraction. For the remaining small number of holes accommodated on ladders, leg sites are preferred to rung sites. The small hole affinity of rung sites explains naturally the one-dimensional to two-dimensional crossover in the phase diagram of (La,Y,Sr,Ca) 14Cu 24O 41.
AB - The hole distribution in Sr 14Cu 24O 41 is studied by low-temperature polarization-dependent O K near-edge x-ray absorption fine-structure measurements and state-of-the-art electronic structure calculations that include core-hole and correlation effects in a mean-field approach. Contrary to all previous analysis, based on semiempirical models, we show that correlations and antiferromagnetic ordering favor the strong chain-hole attraction. For the remaining small number of holes accommodated on ladders, leg sites are preferred to rung sites. The small hole affinity of rung sites explains naturally the one-dimensional to two-dimensional crossover in the phase diagram of (La,Y,Sr,Ca) 14Cu 24O 41.
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U2 - 10.1103/PhysRevB.85.075108
DO - 10.1103/PhysRevB.85.075108
M3 - Article
AN - SCOPUS:84857733425
VL - 85
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 7
M1 - 075108
ER -