On the Two-Dimensional Character of the Magnetic Properties of Azurite Cu3(CO3)2(OH)2

Details On the Two-Dimensional Character of the Magnetic Properties of Azurite Cu3(CO3)2(OH)2 On the Two-Dimensional Character of the Magnetic Properties of Azurite Cu3(CO3)2(OH)2

2009-03-26

arxiv.org/abs/0903.4595v2

Physics

Condensed Matter

Materials Science

23 pages, 3 figures, 3 tables. J. Phys.: Condes. Matter, in press

Scientific paper

The spin lattice appropriate for Azurite Cu3(CO3)2(OH)2 was determined by evaluating its spin exchange interactions on the basis of first principles density functional calculations. It is found that Azurite is not described by an isolated diamond chain with no spin frustration, but by a two-dimensional spin lattice in which diamond chains with spin frustration interact through the interchain spin exchange in the ab-plane. Our analysis indicates that the magnetic properties of Azurite at low temperatures can be approximated by two independent contributions, i.e., an isolated dimer and an effective uniform chain contributions. This prediction was verified by analyzing the magnetic susceptibility and specific heat data of Azurite.

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