Multi-step approach to microscopic models for frustrated quantum magnets - the case of the natural mineral azurite
Harald Jeschke, Ingo Opahle, Hem Kandpal, Roser Valentí, Hena Das, Tanusri Saha-Dasgupta, Oleg Janson, Helge Rosner, Andreas Brühl, Bernd Wolf, Michael Lang, Jo… 展开作者
Harald 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
备注：
final version to appear in Phys. Rev. Lett.; 10 pages, 9 figures, 4 tables (including supplementary material)
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.
Coupled frustrated ferromagnetic and antiferromagnetic quantum spin chains in the quasi-one-dimensional mineral antlerite, Cu$_3$SO$_4$(OH)$_4$
磁阻挫，交换相互作用之间的竞争，往往导致新的磁基态具有独特的物理性质，可以取决于相互作用的细节，否则难以观察。当有可能调整相互作用之间的平衡以访问多种类型的磁序时，这种状态特别有趣。我们目前的antlerite，铜$_3$ SO $_4$（OH）$_4$，作为一个潜在的平台调整挫折。与以前的报道相反，它的三腿之字形梯子的低温磁状态是最近提出的磁状态的准一维模拟表现出自旋磁振子混合在botallackite。密度泛函理论的计算表明，antlerite的磁性基态对原子位置的细节非常敏感，每条链都独立地处于相变的尖端，这表明了可调谐性的良好潜力。
Antiferromagnetic spin-frustrated layers of corner-sharing Cu4 tetrahedra on the kagome lattice in volcanic minerals Cu5O2(VO4)2(CuCl), NaCu5O2(SeO3)2Cl3, and K2Cu5Cl8(OH)4 2H2O
The Johns Hopkins University（约翰斯·霍普金斯大学）；Institute for Quantum Matter, William H. Miller III Department of Physics and Astronomy（量子物质研究所，威廉·H·米勒三世物理与天文系）；Quantum Matter Institute, University of British Columbia（不列颠哥伦比亚大学量子物质研究所）；Neutron Scattering Division, Oak Ridge National Laboratory（橡树岭国家实验室中子散射部）；Department of Physics & Astronomy, University of British Columbia（不列颠哥伦比亚大学物理与天文系）；Centre for Molecular and Materials Science, TRIUMF（TRIUMF分子与材料科学中心）
