Multistep approach to microscopic models for frustrated quantum magnets: The case of the natural mineral azurite

Harald Olaf Jeschke, Ingo Opahle, Hem Kandpal, Roser Valentí, Hena Das, Tanusri Saha-Dasgupta, Oleg Janson, Helge Rosner, Andreas Brühl, Bernd Wolf, Michael Lang, Johannes Richter, Shijie Hu, Xiaoqun Wang, Robert Peters, Thomas Pruschke, Andreas Honecker

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Abstract

The natural mineral azurite Cu3(CO3) 2(OH)2 is a frustrated magnet displaying unusual and controversially discussed magnetic behavior. Motivated by the lack of a unified description for this system, we perform a theoretical study based on density functional theory as well as state-of-the-art numerical many-body calculations. We propose an effective generalized spin-1/2 diamond chain model which provides a consistent description of experiments: low-temperature magnetization, inelastic neutron scattering, nuclear magnetic resonance measurements, magnetic susceptibility as well as new specific heat measurements. With this study we demonstrate that the balanced combination of first principles with powerful many-body methods successfully describes the behavior of this frustrated material.

Original languageEnglish
Article number217201
JournalPhysical Review Letters
Volume106
Issue number21
DOIs
Publication statusPublished - May 23 2011
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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    Jeschke, H. O., Opahle, I., Kandpal, H., Valentí, R., Das, H., Saha-Dasgupta, T., Janson, O., Rosner, H., Brühl, A., Wolf, B., Lang, M., Richter, J., Hu, S., Wang, X., Peters, R., Pruschke, T., & Honecker, A. (2011). Multistep approach to microscopic models for frustrated quantum magnets: The case of the natural mineral azurite. Physical Review Letters, 106(21), [217201]. https://doi.org/10.1103/PhysRevLett.106.217201