Related papers: Computational Design of Axion Insulators Based on …
Recently, there has been substantial interest in realizations of skyrmions, in particular in 2D systems due to increased stability resulting from reduced dimensionality. A stable skyrmion, representing the smallest realizable magnetic…
In view of recent controversy regarding the orbital order in the frustrated spinel ZnV2O4, we analyze the orbital and magnetic groundstate of this system within an ab initio density functional theory approach. While LDA+U calculations in…
The layered 5d transition metal oxides like Sr2IrO4 have attracted significant interest recently due to a number of exotic and new phenomena induced by the interplay between the spin-orbit coupling, bandwidth W and on-site Coulomb…
Since their proposal nearly half a century ago, physicists have sought axions in both high energy and condensed matter settings. Despite intense and growing efforts, to date experimental success has been limited, with the most prominent…
Three-dimensional (3D) topological ferroelectric (FE) insulators, in which topological and FE orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a new structure of bismuth monohalides Bi4Br4 and…
We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A full \textit{ab initio} scheme for calculating hybrid…
The interplay of spin-orbit interactions and Coulomb correlations has become a hot topic in condensed matter theory. Here, we review recent advances in dynamical mean-field theory-based electronic structure calculations for iridates and…
Magnetic skyrmions, vortex-like swirling spin textures characterized by a quantized topological invariant, realized in chiral-lattice magnets are currently attracting intense research interest. In particular, their dynamics under external…
Evolution of composite spin-orbital order and coupled spin-orbital excitations is studied in a variety of $d^4$ systems with $n$=$4$ electrons in the $t_{2g}$ orbital sector using the generalised self-consistent + fluctuations approach for…
Spin-orbit coupling (SOC), the core of numerous condensed-matter phenomena such as nontrivial band gap, magnetocrystalline anisotropy, etc, is generally considered to be appreciable only in heavy elements, detrimental to the synthetization…
Three dimensional (3D) topological insulators are novel states of quantum matter that feature spin-momentum locked helical Dirac fermions on their surfaces and hold promise to open new vistas in spintronics, quantum computing and…
CuAl2O4 is a normal spinel oxide having quantum spin, S=1/2 for Cu2+. It is a rather unique feature that the Cu2+ ions of CuAl2O4 sit at a tetrahedral position, not like the usual octahedral position for many oxides. At low temperatures, it…
Skyrmions, topologically stable spin textures, are of great interest for new generations of spintronic devices. In general, the stabilization of skyrmions has been achieved in systems with broken inversion symmetry, where the asymmetric…
A spin-glass compound, La$_{1.98}$Sr$_{0.02}$CuO$_4$, shows quasi-three-dimensional magnetic ordering below $\sim$40 K. A remarkable feature is that the magnetic correlation length along the orthorhombic $a\rm_{ortho}$ axis is much longer…
Single-crystalline thin film of an iridium dioxide polymorph Ir2O4 has been fabricated by the pulsed laser deposition of LixIr2O4 precursor and the subsequent Li-deintercalation using soft chemistry. Ir2O4 crystallizes in a spinel (AB2O4)…
Skyrmions are topological spin textures of interest for fundamental science and applications. Previous theoretical studies have focused on systems with broken bulk inversion symmetry, where skyrmions are stabilized by easy-axis anisotropy.…
Cohesive energies, energy-volume equations of states EOS, electron localization ELF maps, elastic constants, and band structures are reported for original octacarbon C8 three dimensional 3D and two-dimensional 2D chemical systems based on…
Based on the microscopic model including strong spin-orbit coupling, on-site Coulomb and Hund's interactions, as well as crystal field effects, we have investigated magnetic and optical properties of Sr2IrO4. Taking into account all…
Axion insulators are 3D magnetic higher-order topological insulators protected by inversion-symmetry that exhibit hinge-localized chiral channels and induce quantized topological magnetoelectric effects. Recent research has suggested that…
Quantum spin Hall insulators are a class of topological materials that has been extensively studied during the past decade. One of their distinctive features is the presence of a finite band gap in the bulk and gapless, topologically…