Multi-step approach to microscopic models for frustrated quantum magnets - the case of the natural mineral azurite

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.

final version to appear in Phys. Rev. Lett.; 10 pages, 9 figures, 4 tables (including supplementary material)

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• The spin gap in malachite Cu2(OH)2CO3 and its evolution under pressure
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• Correlation functions for a spin-$\frac{1}{2}$ Ising-XYZ diamond chain: Further evidence for quasi-phases and pseudo-transitions
• Frustrated quantum Heisenberg antiferromagnets at high magnetic fields: Beyond the flat-band scenario
• High-resolution thermal expansion measurements under Helium-gas pressure
• Entangled state teleportation through a couple of quantum channels composed of XXZ dimers in an Ising-XXZ diamond chain
• Diversity of quantum ground states and quantum phase transitions of a spin-1/2 Heisenberg octahedral chain
• Tomonaga-Luttinger spin liquid in the spin-1/2 inequilateral diamond-chain compound K${}_3$Cu${}_3$AlO${}_2$(SO${}_4$)${}_4$
• Entanglement, magnetic and quadrupole moments properties of the mixed spin Ising-Heisenberg diamond chain
• Thermal entanglement in a spin-1/2 Ising-XYZ distorted diamond chain with the second-neighbor interaction between nodal Ising spins
• Exact results for a generalized spin-1/2 Ising-Heisenberg diamond chain with the second-neighbor interaction between nodal spins
• Thermodynamic properties of Ba${}_2$CoSi${}_2$O${}_6$Cl${}_2$ in strong magnetic field: Realization of flat-band physics in a highly frustrated quantum magnet
• Static and Dynamic Magnetic Properties of Spin-1/2 Inequilateral Diamond-Chain Compounds $A_3$Cu${}_3$AlO${}_2$(SO${}_4$)${}_4$ ($A$=K, Rb, and Cs)
• Magnetic properties, Lyapunov exponent and superstability of the spin-1/2 Ising-Heisenberg model on diamond chain
• Magnetism of coupled spin tetrahedra in ilinskite-type KCu${}_5$O${}_2$(SeO${}_3$)${}_2$Cl${}_3$
• From kagome strip to kagome lattice: Realizations of frustrated S=1/2 antiferromagnets in Ti(III) fluorides
• Geometrical frustration of an extended Hubbard diamond chain in the quasi-atomic limit
• Topology of many-body edge and extended quantum states in an open spin chain: 1/3--plateau, Kosterlitz-Thouless transition, and Luttinger liquid
• Ab initio determination of spin Hamiltonians with anisotropic exchange interactions: the case of the pyrochlore ferromagnet Lu${}_2$V${}_2$O${}_7$
• Multiferroic FeTe${}_2$O${}_5$Br: Alternating spin chains with frustrated interchain interactions
• The dynamics of azurite Cu${}_3$(CO${}_3$)${}_2$(OH)${}_2$ in a magnetic field as determined by neutron scattering
• Magneto-elastic couplings in the distorted diamond-chain compound azurite
• Frustrated magnetism of spin-1/2 Heisenberg diamond and octahedral chains as a statistical-mechanical monomer-dimer problem
• Weakly coupled alternating $S=1/2$ chains in the distorted honeycomb lattice compound Na${}_2$Cu${}_2$TeO${}_6$
• Ground-state phase diagram and magnetization process of the exactly solved mixed spin-(1,1/2) Ising diamond chain
• Nearly compensated exchange in the dimer compound callaghanite Cu${}_2$Mg${}_2$(CO${}_3$)(OH)${}_6$$\cdot$2H${}_2$O
• Symmetric Minimally Entangled Typical Thermal States
• Exactly solved mixed spin-(1,1/2) Ising-Heisenberg distorted diamond chain
• Electric field driven flat bands: Enhanced magnetoelectric and electrocaloric effects in frustrated quantum magnets
• The square-kagome quantum Heisenberg antiferromagnet at high magnetic fields: The localized-magnon paradigm and beyond
• Magnetic behavior of Ba_{3}Cu_{3}Sc_{4}O_{12}
• The magnetic phase diagram of the frustrated spin chain compound linarite, PbCuSO${}_4$(OH)${}_2$, as seen by neutron diffraction and ${}^1$H-NMR
• Modified strong-coupling treatment of a spin-1/2 Heisenberg trimerized chain developed from the exactly solved Ising-Heisenberg diamond chain
• Frustrated diamond-chain quantum $XXZ$ Heisenberg antiferromagnet in a magnetic field
• Low-temperature structural investigations of the frustrated quantum antiferromagnets Cs2CuCl(4-x)Br(x)
• Effective spin-1 breathing kagome Hamiltonian induced by the exchange hierarchy in the maple leaf mineral bluebellite
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• Low temperature pseudo-phase transition in an extended Hubbard diamond chain
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• Dispersion-driven ferromagnetism in a flat-band Hubbard system
• Hubbard models with nearly flat bands: Ground-state ferromagnetism driven by kinetic energy
• Semiquantitative theory for high-field low-temperature properties of a distorted diamond spin chain
• Effective low-energy description of almost Ising-Heisenberg diamond chain
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• Magnetic phase diagrams of the spin-$\frac{1}{2}$ Heisenberg model on a kagome-strip chain: Emergence of a Haldane phase
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• Low-temperature heat transport of spin-gapped quantum magnets
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• The transverse field XY model on the diamond chain
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• Importance of Fermi surface and magnetic interactions for the superconducting dome in electron doped FeSe intercalates
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• Triplet excitations in the frustrated spin ladder Li${}_2$Cu${}_2$O(SO${}_4$)${}_2$
• Navigating the phase diagram of quantum many-body systems in phase space
• Critical Phenomena at the Antiferromagnetic Phase Transition of Azurite
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• Dimer-Monomer Ground State for Extended Spin-1/2 Diamond Chain
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