Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
Vladislav Borisov, Yaroslav O. Kvashnin, Nikolaos Ntallis, Danny Thonig, Patrik Thunström, Manuel Pereiro, Anders Bergman, Erik Sjöqvist, Anna Delin, Lars Nordström, Olle Eriksson
The Dzyaloshinskii-Moriya (DM) interaction, as well as symmetric anisotropic exchange, are important ingredients for stabilizing topologically non-trivial magnetic textures, such as, e.g., skyrmions, merons and hopfions. These types of textures are currently in focus from a fundamental science perspective and they are also discussed in the context of future spintronics information technology. While the theoretical understanding of the Heisenberg exchange interactions is well developed, it is still a challenge to access, from first principles theory, the DM interaction as well as the symmetric anisotropic exchange, which both require a fully-relativistic treatment of the electronic structure, in magnetic systems where substantial electron-electron correlations are present. Here, we present results of a theoretical framework which allows to compute these interactions in any given system and demonstrate its performance for several selected cases, for both bulk and low-dimensional systems. We address several representative cases, including the bulk systems CoPt and FePt, the B20 compounds MnSi and FeGe as well as the low-dimensional transition metal bilayers Co/Pt(111) and Mn/W(001). The effect of electron-electron correlations is analyzed using dynamical mean-field theory on the level of the spin-polarized $T$-matrix + fluctuating exchange (SPTF) approximation, as regards the strength and character of the isotropic (Heisenberg) and anisotropic (DM) interactions in relation to the underlying electronic structure. Our method can be combined with more advanced techniques for treating correlations, e.g., quantum Monte Carlo and exact diagonalization methods for the impurity solver of dynamical mean-field theory. We find that correlation-induced changes of the DM interaction can be rather significant, with up to five-fold modifications in the most distinctive case.
In this study, we investigate the magnetic susceptibility, entropy, and isothermal magnetization curve of the spin-1/2 Heisenberg model on an anisotropic triangular lattice using the orthogonalized finite-temperature Lanczos method. In addition, we investigate the adiabatic magnetization curve and magnetocaloric effect. We estimate these physical quantities with sufficient accuracy in the thermodynamic limit, except at low temperatures. We observe a 1/3 magnetization plateau in the isothermal magnetization process, whereas the plateau is observed to have a slope in the adiabatic process. We sh…
Employing exact diagonalization, we systematically study the anisotropic Heisenberg model which is related to rare-earth triangular-lattice materials. We probe its full 3D phase diagram afresh and identify a large region of quantum spin liquid (QSL) phase which can extend to the QSL region of the $J_1$--$J_2$ triangular Heisenberg model. Furthermore, we explore the magnetization curves of different phases and reproduce the 1/3-magnetization plateau in the quantum spin liquid phase region. More importantly, to study the possible chemical disorders in real materials, we consider the randomness o…
The spin-$\frac12$ triangular lattice antiferromagnetic Heisenberg model has been for a long time the prototypical model of magnetic frustration. However, only very recently this model has been proposed to be realized in the Ba$_8$CoNb$_6$O$_{24}$ compound. The ground-state and thermodynamic properties are evaluated from a high-temperature series expansions interpolation method, called "entropy method", and compared to experiments. We find a ground-state energy $e_0 = -0.5445(2)$ in perfect agreement with exact diagonalization results. We also calculate the specific heat and entropy at all tem…
We study the Kitaev-Heisenberg-$Γ$ model with antiferromagnetic Kitaev exchanges in the strong anisotropic (toric code) limit to understand the phases and the intervening phase transitions between the gapped $Z_2$ quantum spin liquid and the spin-ordered (in the Heisenberg limit) as well as paramagnetic phases (in the pseudo-dipolar, $Γ$, limit). We find that the paramagnetic phase obtained in the large $Γ$ limit has no topological entanglement entropy and is proximate to a gapless critical point of a system described by an equal superposition of differently oriented stacked one-dimensional $Z…
Purely ballistic transport is a rare feature even for integrable models. By numerically studying the Heisenberg chain with the power-law exchange, \mbox{$J\propto1/r^α$}, where $r$ is a distance, we show that for spin anisotropy $Δ\simeq \exp(-α+2)$ the system exhibits a quasiballistic spin transport and the presence of fermionic excitation which do not decay up to extremely long times $\sim10^3/J$. This conclusion is reached on the base of the dynamics of spin domains, the dynamical spin conductivity, inspecting the matrix elements of the spin-current operator, and by the analysis of most con…
A new collective phenomenon arising from spin anisotropic perturbations to a Heisenberg square lattice manifested in paramagnetic resonance experiments
Large-N solutions of the Heisenberg and Hubbard-Heisenberg models on the anisotropic triangular lattice: application to Cs$_2$CuCl$_4$ and to the layered organic superconductors $κ$-(BEDT-TTF)$_2$X
Using the algebro-geometric approach, we study the structure of semi-classical eigenstates in a weakly-anisotropic quantum Heisenberg spin chain. We outline how classical nonlinear spin waves governed by the anisotropic Landau-Lifshitz equation arise as coherent macroscopic low-energy fluctuations of the ferromagnetic ground state. Special emphasis is devoted to the simplest types of solutions, describing precessional motion and elliptic magnetisation waves. The internal magnon structure of classical spin waves is resolved by performing the semi-classical quantisation using the Riemann-Hilbert…
