Related papers: Pressure-induced dimerization and molecular orbita…
We study how spin and orbital effects influence the capability of promoting Dzyaloshinskii-Moriya (DM) interaction by studying the two magnetic polar materials, Cu(IO3)2 (S = 1/2 with orbital contribution) and Mn(IO3)2 (S = 5/2 with…
The spin-orbit Mott insulator Sr3Ir2O7 provides a fascinating playground to explore insulator-metal transition driven by intertwined charge, spin, and lattice degrees of freedom. Here, we report high pressure electric resistance and…
Iridates are characterized by a fascinating interplay of spin-orbit and electron-electron interactions. The honeycomb-lattice materials A2IrO3 (A=Na,Li) have been proposed to realize pseudospin-1/2 Mott insulating states with strongly…
Li3Co2SbO6 is prepared by molten salt ion exchange and its structure refined by the Rietveld method confirming the honeycomb-type Co/Sb ordering of its Na precursor. Monoclinic rather than trigonal symmetry of Na3Co2SbO6 is directly…
While the enhancement of the spin-space symmetry from the usual $\mathrm{SU}(2)$ to $\mathrm{SU}(N)$ is promising for finding nontrivial quantum spin liquids, its realization in magnetic materials remains challenging. Here we propose a new…
The layered RuBr3-RuI3 honeycomb system was synthesized at high-pressures. The crystal structures are centrosymmetric (space group R-3), and based on honeycomb layers of Ru$^{3+}$ (S=1/2). Their basic physical properties are surveyed. The…
One of the main characteristics of the new family of two-dimensional crystals of semiconducting transition metal dichalcogenides (TMD) is the strong spin-orbit interaction, which makes them very promising for future applications in…
The diverse functionality emerging at oxide interfaces calls for a fundamental understanding of the mechanisms and control parameters of electronic reconstructions. Here, we explore the evolution of electronic phases in…
We study the problem of designing an artificial Mott insulator in a correlated oxide heterostructure. We consider the extreme limit of quantum confinement based on ionic discontinuity doping, and argue that a unique dimer Mott insulator can…
Co$^{2+}$ ions in an octahedral crystal field, stabilise a j$_{eff}$ = 1/2 ground state with an orbital degree of freedom and have been recently put forward for realising Kitaev interactions, a prediction we have tested by investigating…
Honeycomb Na$_2$IrO$_3$ is a prototype spin-orbit Mott insulator and Kitaev magnet. We report a combined structural and electrical resistivity study of Na$_2$IrO$_3$ single crystals. Laue back-scattering diffraction indicates twinning with…
Magnetization and high-resolution x-ray diffraction measurements of the Kitaev-Heisenberg material alpha-RuCl3 reveal a pressure-induced crystallographic and magnetic phase transition at a hydrostatic pressure of p=0.2 GPa. This structural…
The semi-metallic behavior of the perovskite iridate SrIrO3 shifts the end-member of the strongly spin-orbit (SO) coupled Ruddlesden-Popper series Srn+1IrnO3n+1 away from the Mott insulating regime and the half-filled pseudospin Jeff=1/2…
Quantum spin-orbital liquids are elusive strongly correlated states of matter that emerge from quantum frustration between spin and orbital degrees of freedom. A promising route towards the observation of those states is the creation of…
Motivated by the unveiled complexity of nonmagnetic insulating behavior in pentavalent post-perovskite NaIrO$_3$, we have studied its electronic structure and phase diagram in the plane of Coulomb repulsive interaction and spin-orbit…
Spin-orbit coupling (SOC) is pivotal for various fundamental spin-dependent phenomena in solids and their technological applications. In semiconductors, these phenomena have been so far studied in relatively weak electron-electron…
We investigate the electronic and magnetic structures and the character and direction of spin and orbital moments of the recently synthesized quadruple perovskite cobaltovanadate CaCo3V4O12 using a selection of methods from density…
We explore the response of Ir $5d$ orbitals to pressure in $\beta$-$\mathrm{Li_2IrO_3}$, a hyperhoneycomb iridate in proximity to a Kitaev quantum spin liquid (QSL) ground state. X-ray absorption spectroscopy reveals a reconstruction of the…
By means of density functional theory (DFT) calculations (with and without inclusion of spin-orbit (SO) coupling) we present a detailed study of the electronic structure and corresponding microscopic Hamiltonian parameters of Na2IrO3. In…
We study the combined effects of lattice deformation, e-e interaction and spin-orbit coupling in a two-dimensional (2D) honeycomb lattice. We adopt different kinds of hopping modulation--generalized dimerization and a Kekule distortion--and…