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. © 2012 American Physical Society.
Hole depletion of ladders in Sr 14Cu 24O 41 induced by correlation effects / Ilakovac, V.; Gougoussis, C.; Calandra, M.; Brookes, N. B.; Bisogni, V.; Chiuzbaian, S. G.; Akimitsu, J.; Milat, O.; Tomic, S.; Hague, C. F.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 85:7(2012). [10.1103/PhysRevB.85.075108]
Hole depletion of ladders in Sr 14Cu 24O 41 induced by correlation effects
Calandra M.;
2012-01-01
Abstract
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. © 2012 American Physical Society.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione
