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

doi:10.1103/PhysRevLett.106.217201

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

Research output: Contribution to journal › Article

92 Citations (Scopus)

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 language	English
Article number	217201
Journal	Physical Review Letters
Volume	106
Issue number	21
DOIs	https://doi.org/10.1103/PhysRevLett.106.217201
Publication status	Published - May 23 2011
Externally published	Yes

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

Multistep approach to microscopic models for frustrated quantum magnets : The case of the natural mineral azurite. / Jeschke, Harald Olaf; Opahle, Ingo; Kandpal, Hem; Valentí, Roser; Das, Hena; Saha-Dasgupta, Tanusri; Janson, Oleg; Rosner, Helge; Brühl, Andreas; Wolf, Bernd; Lang, Michael; Richter, Johannes; Hu, Shijie; Wang, Xiaoqun; Peters, Robert; Pruschke, Thomas; Honecker, Andreas.

In: Physical Review Letters, Vol. 106, No. 21, 217201, 23.05.2011.

Research output: Contribution to journal › Article

Jeschke, HO, 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, vol. 106, no. 21, 217201. https://doi.org/10.1103/PhysRevLett.106.217201

Jeschke, Harald Olaf ; Opahle, Ingo ; Kandpal, Hem ; Valentí, Roser ; Das, Hena ; Saha-Dasgupta, Tanusri ; Janson, Oleg ; Rosner, Helge ; Brühl, Andreas ; Wolf, Bernd ; Lang, Michael ; Richter, Johannes ; Hu, Shijie ; Wang, Xiaoqun ; Peters, Robert ; Pruschke, Thomas ; Honecker, Andreas. / Multistep approach to microscopic models for frustrated quantum magnets : The case of the natural mineral azurite. In: Physical Review Letters. 2011 ; Vol. 106, No. 21.

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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.",

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