Related papers: Correlation effects in the electronic structure of…
Effects of electron correlation on the electronic structure and magnetic properties of the Gd(0001) surface are investigated using of the full-potential linearized augmented plane wave implementation of correlated band theory ("LDA+U"). The…
Despite the rapid progress in understanding the first intrinsic magnetic topological insulator MnBi$_2$Te$_4$, its electronic structure remains a topic under debates. Here we perform a thorough spectroscopic investigation into the…
Atomically-thin magnetic crystals have been recently isolated experimentally, greatly expanding the family of two-dimensional materials. In this Article we present an extensive comparative analysis of the electronic and magnetic properties…
The many-body expansion (MBE) is an efficient tool which has a long history of use for calculating interaction energies, binding energies, lattice energies, and so on. In the past, applications of MBE to correlation energy have been…
Low-dimensional quantum magnets are a versatile materials platform for studying the emergent many-body physics and collective excitations that can arise even in systems with only short-range interactions. Understanding their low-temperature…
Ca$_{3}$Ru$_{2}$O$_{7}$ is a fascinating material that displays physical properties governed by spin-orbit interactions and structural distortions, showing a wide range of remarkable electronic phenomena. Here, we present a…
Despite serious effort, the nature of the magnetic interactions and the role of electron-correlation effects in magnetic two-dimensional (2D) van der Waals materials remain elusive. Using CrI$_3$ as a model system, we show that the…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…
The correlation between static magnetoelectric coupling and magnetic structure was investigated in $TbMn_{0.98}Fe_{0.02}O_{3}$ with magnetic field up to 8 T and down to 2 K. Single-crystal neutron diffraction experiments reveal a…
We use synchrotron x-ray diffraction and electrical transport under pressure to probe both the magnetism and the structure of single crystal NiS2 across its Mott-Hubbard transition. In the insulator, the low-temperature antiferromagnetic…
Recently synthesised Ba4NbMn3O12 belong to cluster magnets - systems with tightly bound groups of magnetism ions, in this case Mn3 trimers. Often such magnetic clusters can be described by molecular orbitals (MO), however strong electron…
We present results of GGA+U calculations for the "d^0 magnet" RbO_2, where magnetic properties are due to partially filled oxygen p orbitals. We show that on-site interactions on the oxygen sites lead to a strong tendency towards the…
Broken Galilean invariance in a spin-orbit coupled system can amplify many-body effects on its different responses. We study the anomalous Hall and spin Hall conductivities of a magnetic two-dimensional electron gas with Rashba spin-orbit…
Magnetic properties of two and three-dimensional clusters of quantum dots are studied with exact diagonalization of a generalized Hubbard model. We study the weak coupling limit, where the electrons interact only within a quantum dot and…
The recent observation of magnetization plateaus in rare-earth metallic tetraborides has drawn a lot of attention to this class of materials. In this work, we investigate the electronic structure of one such canonical system…
We explore the intriguing topological itinerant magnet MgMn$_6$Sn$_6$, characterized by bilayer kagome Mn layers encasing a hexagonal Sn layer. Using \textit{ab initio} Density functional theory and Dynamical mean-field theory calculations,…
We studied the changes in the electronic structure of V2O3 using a cluster model. The calculations included fluctuations from the coherent band in the metallic phase, and non-local Mott-Hubbard fluctuations in the insulating phase. The…
The magnetoelectronic coupling can be defined as cross-domain coupling between electronic and magnetic properties, where modulation in magnetic properties changes the electronic properties. In this letter, an explicit experimental evidence…
We report the importance of anisotropic Coulomb interactions in DFT+U calculations of the electronic and magnetic properties of Mn$_3$O$_4$. The effects of anisotropic interactions in Mn$^{2+}$ and Mn$^{3+}$ are separately examined by…
Electronic transport properties of the Si(111)-$(\sqrt{3}\times\sqrt{3})$-Sn surface formed on low doped Si substrates are studied using two-probe conductivity measurements and tunnelling spectroscopy. We demonstrate that the ground state…