Related papers: Multipolar exchange interaction and complex order …
Anisotropic intersite exchange interactions in frustrated rare-earth magnets are difficult to assess both theoretically and experimentally. Here, we propose an ab initio force-theorem framework combining the quasi-atomic Hubbard-I approach…
In this report we review the method of explicit calculations of interatomic exchange interactions of magnetic materials. This involves exchange mechanisms normally referred to as Heisenberg exchange, Dzyaloshinskii-Moriya interaction and…
Whereas in the familiar Kondo effect the exchange interaction is dipolar, it can also be multipolar, as has been realized in a recent experiment. Here we study multipolar Kondo effect in a Fermi gas of cold $^{173}$Yb atoms. Making use of…
The recent development in the field of 2D magnetic materials urges reliable theoretical methodology for determination of magnetic properties. Among the available methods, ab initio four-state energy mapping based on Density Functional…
We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange interactions in the series of orthorhombic rare-earth…
We discuss a new mechanism of orbital ordering, which in charge transfer insulators is more important than the usual exchange interactions and which can make the very type of the ground state of a charge transfer insulator, i.e. its orbital…
Motivated by the recent development in strong spin-orbit-coupled materials, we consider the dipole-octupole doublets on the triangular lattice. We propose the most general interaction between these unusual local moments. Due to the…
We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-interaction corrected local spin density approximation…
We theoretically propose a new route to control magnetic and topological orders in a broad class of insulating magnets with a DC electric field. We show from the strong-coupling expansion that magnetic exchange interactions along the…
The exchange interactions and magnetic structure in layered system CuMnO2 (mineral crednerite) and in nonstoichiometric system Cu1.04Mn0.96O2, with triangular layers distorted due to orbital ordering of the Mn3+ ions, are studied by…
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…
The origin of non-collinear magnetic order in UO$_{2}$ is studied by an ab initio dynamical-mean-field-theory framework in conjunction with a linear-response approach for evaluating inter-site superexchange interactions between U 5$f^{2}$…
The physics of spin-orbit entangled magnetic moments of $4d$ and $5d$ transition metal ions on a honeycomb lattice has been much explored in search for unconventional magnetic orders or quantum spin liquids expected for compass spin models,…
Lanthanide atoms have an unusual electron configuration, with a partially filled shell of $f$ orbitals. This leads to a set of characteristic properties that enable enhanced control over ultracold atoms and their interactions: large numbers…
Magnetic and other unconventional electronic orders are discussed for heavy electrons. In addition to the ordinary Kondo lattice, we consider non-Kramers systems taking the two-channel Kondo lattice, and another lattice that consists of a…
Motivated by the rapid experimental progress on the spin-orbit-coupled Mott insulators, we propose and study a generic spin model that describes the interaction between the non-Kramers doublets on a triangular lattice and is relevant for…
First-order field-induced spin reorientation transitions in multisublattice intermetallic compounds are considered within an anisotropic Heisenberg model. Unlike previous works, only leading-order anisotropy constants of the sublattices are…
The nature of magnetic order and transport properties near surfaces is a topic of great current interest. Here we model metal-insulator interfaces with a multi-layer system governed by a tight-binding Hamiltonian in which the interaction is…
Multipolar magnetic phases in correlated insulators represent a great challenge for Density Functional Theory (DFT) due to the coexistence of intermingled interactions, typically spin-orbit coupling, crystal field and complex non-collinear…
It is well known that the kinetic exchange interaction between single-occupied magnetic orbitals (s-s) is always antiferromagnetic, while between single- and double-occupied orbitals (s-d) is always ferromagnetic and much weaker. Here we…