Ab initio determination of exchange integrals and Neel temperature in the chain cuprates

Details Ab initio determination of exchange integrals and Neel temperature in the chain cuprates Ab initio determination of exchange integrals and Neel temperature in the chain cuprates

1998-09-18

arxiv.org/abs/cond-mat/9809249v1

Physics

Condensed Matter

Strongly Correlated Electrons

ps, 19 pages. To appear in Chemical Physics Letters

Scientific paper

10.1016/S0009-2614(98)00978-6

We report ab initio quantum chemical cluster calculations of the chain (J_a) and the largest interchain (J_b) Heisenberg exchange of the chain cuprates Ca_2CuO_3 and Sr_2CuO_3. We find that J_a is comparable to the in-plane J in layered cuprates and J_a/J_b ~250-400. Using recent theory we obtain close agreement with experiment for the staggered moments and the critical temperatures. This implies that T_N does not depend on the third parameter J_c << J_b, and cannot be calculated using spin-wave theory. We propose an explanation for this interms of a 1D->2D cross-over.

Affiliated with

Also associated with

No associations

Rating

Ab initio determination of exchange integrals and Neel temperature in the chain cuprates does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Ab initio determination of exchange integrals and Neel temperature in the chain cuprates, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Ab initio determination of exchange integrals and Neel temperature in the chain cuprates will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-458170