Is Herbertsmithite far from an ideal antiferromagnet? Ab-initio answer including in-plane Dzyaloshinskii-Moriya interactions and coupling with extra-plane impurities

Abstract

Herbertsmithite is known as the archetype of a S=1/2 nearest-neighbor Heisenberg antiferromagnet on the Kagomé lattice, theoretically presumed to be a quantum gapless spin liquid. However, more and more experiments reveal that the model suffers from deviations from the ideal one, evidenced at very low temperatures. This detailed ab initio study focuses on two such deviations that have never been quantitatively calculated: the anisotropic exchange interactions and the Heisenberg exchange with extra-plane magnetic impurities. The Dzyaloshinskii-Moriya interaction is found to have an in-plane component almost three times larger than the out-of-plane component, but typically obviated in theoretical studies. Moreover, it is shown that the extra-plane magnetic impurities have a strong ferromagnetic interaction (minus half the main exchange $J_1$ ) with the Kagomé magnetic sites. Combined with an estimated occurrence of these magnetic impurities of $\sim 15\%$, the present results indicate that two-dimensional magnetic models only describe part of the physics.

References in corpus (50)

• Fractionalized excitations in the spin liquid state of a kagomé lattice antiferromagnet
• Projected wavefunction study of Spin-1/2 Heisenberg model on the Kagome lattice
• Quantum magnetism in the paratacamite family: towards an ideal kagome lattice
• Gapless spin-liquid ground state in the $S=1/2$ kagome antiferromagnet
• Symmetry breaking due to Dzyaloshinsky-Moriya interactions in the kagome lattice
• Signatures of Dirac cones in a DMRG study of the Kagome Heisenberg model
• Quantum phase transition induced by Dzyaloshinskii-Moriya in the kagome antiferromagnet
• Dzyaloshinsky-Moriya Anisotropy in the Spin-1/2 Kagomé Compound ZnCu${}_3$(OH)${}_6$Cl${}_2$
• Gapless ground state in the archetypal quantum kagome antiferromagnet ZnCu${}_3$(OH)${}_6$Cl${}_2$
• Lattice symmetries and regular states in classical frustrated antiferromagnets
• Spin-1/2 Heisenberg-Antiferromagnet on the Kagome Lattice: High Temperature Expansion and Exact Diagonalisation Studies
• Correlated impurities and intrinsic spin liquid physics in the kagome material Herbertsmithite
• ^{63}Cu, ^{35}Cl, and ^{1}H NMR in the S=1/2 Kagomé Lattice ZnCu_{3}(OH)_{6}Cl_{2}
• Octupolar ordering of classical kagome antiferromagnets in two and three dimensions
• The $S=1/2$ Kagome Heisenberg Antiferromagnet Revisited
• Magnetic Susceptibility of the Kagome Antiferromagnet ZnCu3(OH)6Cl2
• First-principles determination of Heisenberg Hamiltonian parameters for the spin-1/2 kagome antiferromagnet ZnCu3(OH)6Cl2
• Projective symmetry group classification of chiral spin liquids
• Paramagnetism in the kagome compounds (Zn,Mg,Cd)Cu${}_3$(OH)${}_6$Cl${}_2$
• Weak ferromagnetism in antiferromagnets: Fe${}_2$O${}_3$ and La${}_2$CuO${}_4$
• Valence Bond Glass Phase in the Diluted Kagome Antiferromagnets
• Synthesis and Characterization of Single Crystal Samples of Spin-$1/2$ Kagome Lattice Antiferromagnets in the Zn-Paratacamite Family Zn${}_x$Cu${}_{4-x}$(OH)${}_6$Cl${}_2$
• Kagome lattice antiferromagnets and Dzyaloshinsky-Moriya interactions
• Nature of the randomness-induced quantum spin liquids in two dimensions
• Static impurities in the kagome lattice: dimer freezing and mutual repulsion
• Chiral spin liquid on kagome antiferromagnet induced by Dzyaloshinskii-Moriya interaction
• Dipolar order by disorder in the classical Heisenberg antiferromagnet on the kagome lattice
• Microscopic origin of isotropic non-Heisenberg behavior in highly correlated systems
• Order and excitations in large-$S$ kagomé-lattice antiferromagnets
• Functional-renormalization-group analysis of Dzyaloshinsky-Moriya and Heisenberg spin interactions on the kagome lattice
• Emergence of spin singlets with inhomogeneous gaps in the kagome Heisenberg antiferromagnets Zn-barlowite and herbertsmithite
• Semi-classical spin dynamics of the antiferromagnetic Heisenberg model on the kagome lattice
• Origin of Magnetic Ordering in a Structurally-Perfect Quantum Kagome Antiferromagnet
• Vesignieite: a $S=\frac{1}{2}$ kagome antiferromagnet with dominant third-neighbor exchange
• Electron spin resonance in S=1/2 antiferromagnets at high temperature
• Effect of perturbations on the kagome $S=1/2$ antiferromagnet at all temperatures
• $ab$-$initio$ Approaches for Low-Energy Spin Hamiltonians
• Emergent Potts order in the kagomé $J_1-J_3$ Heisenberg model
• Static and dynamical signatures of Dzyaloshinskii-Moriya interactions in the Heisenberg model on the kagome lattice
• Impurity-doped Kagome Antiferromagnet: A Quantum Dimer Model Approach
• Site-Specific Structure at Multiple Length Scales in Kagome Quantum Spin Liquid Candidates
• Microscopic theory of the nearest-neighbor valence bond sector of the spin-1/2 kagome antiferromagnet
• Strong quantum effects in an almost classical antiferromagnet on a kagome lattice
• Dynamical spin correlations of the kagome antiferromagnet
• Ab initio study of the CE magnetic phase in half-doped manganites: Purely magnetic versus double exchange description
• Specific Heat of the Kagome Antiferromagnet Herbertsmithite in High Magnetic Fields
• Disorder effects in the quantum kagome antiferromagnet ZnCu3(OH)6Cl2
• Structures of magnetic excitations in the spin-1/2 kagome-lattice antiferromagnets Cs${}_2$Cu${}_3$SnF${}_{12}$ and Rb${}_2$Cu${}_3$SnF${}_{12}$
• Quantum half-orphans in kagome antiferromagnets
• Strong relevance of Zinc impurity in the spin-$\frac{1}{2}$ Kagome quantum antiferromagnets: a variational study

Cited by in corpus (1)

• Spinon mediation of witness spin dynamics in herbertsmithite