A theoretical model for tellurite-sulfates NaCu(TeO)(SO)(OH) and KCu(TeO)(SO)(OH)
arXiv:2210.15416 · doi:10.1103/PhysRevB.106.195119
Abstract
A theoretical model for two new tellurite-sulfates, namely NaCu(TeO)(SO)(OH) and KCu(TeO)(SO) (OH) is determined to be compatible with ab-initio calculations. The results obtained in this work show that some previous speculations in the literature about the couplings are correct, obtaining a model with a mixture of ferromagnetic and antiferromagnetic couplings. We use a combination of numerical techniques to study the magnetic properties of the model. Our numerical calculations based on the density-matrix renormalization group method reveal that the system presents Ising-like magnetization plateaux at rational values of the saturation magnetization.
arXiv comment7 pages, 8 figures
References in corpus (15)
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- A linear response approach to the calculation of the effective interaction parameters in the LDA+U method
- Precision and efficiency in solid-state pseudopotential calculations
- Magnetization plateaus in spin chains: ``Haldane gap'' for half-integer spins
- Macroscopic magnetization jumps due to independent magnons in frustrated quantum spin lattices
- A series of magnon crystals appearing under ultrahigh magnetic fields in a kagomé antiferromagnet
- Kagom{é} Lattice Antiferromagnet Stripped to Its Basics
- Gapless Singlet modes in the Kagome strips: A study through DMRG and strong coupling analysis
- Comment on "Kagome Lattice Antiferromagnet Stripped to Its Basics"
- Magnetization plateaus in the spin-1/2 antiferromagnetic Heisenberg model on a kagome-strip chain
- Magnon crystals and magnetic phases in a Kagomé-stripe antiferromagnet
- Resonating dimer-monomer liquid state in a magnetization plateau of a spin- kagome-strip Heisenberg chain
- Magnetic phase diagrams of the spin- Heisenberg model on a kagome-strip chain: Emergence of a Haldane phase
- Current jumps in flat band ladders with Dzyaloshinskii-Moriya interactions
- Optimizing configurations for determining the magnetic model based on ab-initio calculations