Multistep approach to microscopic models for frustrated quantum magnets: the case of the natural mineral azurite
The natural mineral azurite Cu(3)(CO(3))(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...
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| Published in: | Physical review letters Vol. 106; no. 21; p. 217201 |
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23-05-2011
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| Abstract | The natural mineral azurite Cu(3)(CO(3))(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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| AbstractList | The natural mineral azurite Cu(3)(CO(3))(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. |
| ArticleNumber | 217201 |
| Author | Saha-Dasgupta, Tanusri Peters, Robert Honecker, Andreas Lang, Michael Hu, Shijie Pruschke, Thomas Kandpal, Hem Brühl, Andreas Jeschke, Harald Opahle, Ingo Valentí, Roser Janson, Oleg Rosner, Helge Wolf, Bernd Wang, Xiaoqun Das, Hena Richter, Johannes |
| Author_xml | – sequence: 1 givenname: Harald surname: Jeschke fullname: Jeschke, Harald organization: Institut für Theoretische Physik, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main, Germany – sequence: 2 givenname: Ingo surname: Opahle fullname: Opahle, Ingo – sequence: 3 givenname: Hem surname: Kandpal fullname: Kandpal, Hem – sequence: 4 givenname: Roser surname: Valentí fullname: Valentí, Roser – sequence: 5 givenname: Hena surname: Das fullname: Das, Hena – sequence: 6 givenname: Tanusri surname: Saha-Dasgupta fullname: Saha-Dasgupta, Tanusri – sequence: 7 givenname: Oleg surname: Janson fullname: Janson, Oleg – sequence: 8 givenname: Helge surname: Rosner fullname: Rosner, Helge – sequence: 9 givenname: Andreas surname: Brühl fullname: Brühl, Andreas – sequence: 10 givenname: Bernd surname: Wolf fullname: Wolf, Bernd – sequence: 11 givenname: Michael surname: Lang fullname: Lang, Michael – sequence: 12 givenname: Johannes surname: Richter fullname: Richter, Johannes – sequence: 13 givenname: Shijie surname: Hu fullname: Hu, Shijie – sequence: 14 givenname: Xiaoqun surname: Wang fullname: Wang, Xiaoqun – sequence: 15 givenname: Robert surname: Peters fullname: Peters, Robert – sequence: 16 givenname: Thomas surname: Pruschke fullname: Pruschke, Thomas – sequence: 17 givenname: Andreas surname: Honecker fullname: Honecker, Andreas |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/21699334$$D View this record in MEDLINE/PubMed https://hal.science/hal-03199431$$DView record in HAL |
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| Cites_doi | 10.1103/PhysRevB.62.R16219 10.1103/PhysRevLett.97.089701 10.1103/PhysRevB.59.1743 10.1103/PhysRevB.50.17953 10.1063/1.2780166 10.1103/PhysRevB.66.045114 10.1103/PhysRevB.83.104401 10.1103/PhysRevLett.94.227201 10.1103/PhysRevB.63.174407 10.1103/PhysRevLett.69.2863 10.1103/PhysRevB.73.134418 10.1007/s002690100176 10.1103/PhysRevB.77.054405 10.1103/PhysRevLett.103.067004 10.1103/PhysRevLett.55.2471 10.1063/1.1730553 10.1103/PhysRevB.56.5061 10.1103/PhysRevLett.102.127205 10.1103/PhysRevB.66.054426 10.1103/PhysRevLett.100.117202 10.1103/PhysRevB.81.140406 10.1103/PhysRevB.75.174437 10.1103/PhysRevLett.97.089702 10.1143/PTPS.159.1 10.1524/zkri.1972.135.5-6.416 10.1088/0953-8984/21/39/392201 10.1007/978-3-642-10589-0 10.1143/JPSJ.72.2464 |
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| References | C. Lacroix (PhysRevLett.106.217201Cc4R1) 2011 PhysRevLett.106.217201Cc3R1 PhysRevLett.106.217201Cc6R1 PhysRevLett.106.217201Cc5R1 PhysRevLett.106.217201Cc11R1 PhysRevLett.106.217201Cc10R1 PhysRevLett.106.217201Cc2R1 PhysRevLett.106.217201Cc13R1 PhysRevLett.106.217201Cc1R1 PhysRevLett.106.217201Cc12R1 PhysRevLett.106.217201Cc15R1 PhysRevLett.106.217201Cc13R2 PhysRevLett.106.217201Cc14R1 PhysRevLett.106.217201Cc16R1 PhysRevLett.106.217201Cc19R1 PhysRevLett.106.217201Cc18R1 PhysRevLett.106.217201Cc19R2 PhysRevLett.106.217201Cc8R1 PhysRevLett.106.217201Cc7R1 P. Blaha (PhysRevLett.106.217201Cc20R1) 2001 PhysRevLett.106.217201Cc9R1 PhysRevLett.106.217201Cc21R1 PhysRevLett.106.217201Cc24R1 PhysRevLett.106.217201Cc23R1 PhysRevLett.106.217201Cc27R1 PhysRevLett.106.217201Cc28R1 PhysRevLett.106.217201Cc25R1 PhysRevLett.106.217201Cc26R1 PhysRevLett.106.217201Cc29R1 |
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| Snippet | The natural mineral azurite Cu(3)(CO(3))(2)(OH)(2) is a frustrated magnet displaying unusual and controversially discussed magnetic behavior. Motivated by the... |
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| Title | Multistep approach to microscopic models for frustrated quantum magnets: the case of the natural mineral azurite |
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