相关论文: Defect control in the Heisenberg-Kitaev candidate …
Motivated by recent reports of a quantum disordered ground state in the triangular lattice compound NaRuO$_2$, we derive a $j_{\rm eff}=1/2$ magnetic model for this system by means of first-principles calculations. The pseudospin…
In this study, we reanalyze the magnetic interactions in the Kitaev spin liquid candidate materials Na$_2$IrO$_3$, $\alpha$-RuCl$_3$, and $\alpha$-Li$_2$IrO$_3$ using nonperturbative exact diagonalization methods. These methods are more…
Cu$_2$IrO$_3$ is a honeycomb iridate which has been studied recently as a candidate Kitaev quantum spin liquid. Its magnetic ground state however, has been reported to be quantum disordered, spin glassy, or magnetically ordered depending on…
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 investigate the ground state properties of $\mathrm{Na_2IrO_3}$ based on numerical calculations of the recently proposed {\it ab initio} Hamiltonian represented by Kitaev and extended Heisenberg interactions. To overcome the limitation…
Kitaev exchange, a new paradigm in quantum magnetism research, occurs for 90$^{\circ}$ metal-ligand-metal links, $t_{2g}^5$ transition ions, and sizable spin-orbit coupling. It is being studied in honeycomb compounds but also on triangular…
Poly- and single-crystalline Na$_x$CoO$_2$ has been successfully intercalated with H$_2$O and D$_2$O as confirmed by X-ray diffraction and thermogravimetric analysis. Resistivity, magnetic susceptibility, and specific heat measurements show…
Incommensurate magnetic order in the spin-3/2 antiferromagnet Na$_3$RuO$_4$ is uncovered by neutron diffraction combined with ab initio calculations. The crystal structure of Na$_3$RuO$_4$ contains two triangular motifs on different length…
Kitaev's honeycomb spin-liquid model and its proposed realization in materials such as $\alpha$-RuCl$_3$, Li$_2$IrO$_3$ and Na$_2$IrO$_3$ continue to present open questions about how the dynamics of a spin-liquid are modified in the…
Heisenberg interactions are ubiquitous in magnetic materials and have been prevailing in modeling and designing quantum magnets. Bond-directional interactions offer a novel alternative to Heisenberg exchange and provide the building blocks…
We report the synthesis and characterisation of polycrystalline Na$_2$RuO$_3$, a layered material in which the Ru$^{4+}$ ($4d^4$ configuration) form a honeycomb lattice. The optimal synthesis condition was found to produce a nearly ordered…
We report susceptibility, specific heat, and neutron diffraction measurements on NaCu$_2$O$_2$, a spin-1/2 chain compound isostructural to LiCu$_2$O$_2$, which has been extensively investigated. Below 13 K, we find a long-range ordered,…
We present a DFT study utilizing the Hubbard U correction to probe structural and magnetic disorder in $\mathrm{NaO_{2}}$, primary discharge product of Na-O$_2$ batteries. We show that $\mathrm{NaO_{2}}$ exhibits a large degree of…
Nominally pure nanocrystalline KTaO3 was thoroughly investigated by micro-Raman and magnetic resonance spectroscopic techniques. In all samples the defect driven ferroelectricity and magnetism are registered. Both ordering states are…
Using optical magneto-spectroscopy, we investigate the magnetic excitations of Na$_2$Co$_2$TeO$_6$ in a broad magnetic field range ($0\ \rm{T}\leq B\leq 17.5\ \rm{T}$) at low temperature. Our measurements reveal rich spectra of in-plane…
With a goal to expand on the family of double perovskite compounds, hosting 3d transition metal and 4d or 5d transition metal, two new ordered double perovskite compounds, Ca$_2$FeRuO$_6$ and Ca$_2$CoRuO$_6$ are synthesized following the…
As a candidate Kitaev material, Na$_2$Co$_2$TeO$_6$ exhibits intriguing magnetism on a honeycomb lattice that is believed to be $C_3$-symmetric. Here we report a neutron diffraction study of high quality single crystals under $a$-axis…
The prospect of merging the paradigms of geometric frustration on a triangular lattice and bond anisotropies in the strong spin-orbit coupling limit holds tremendous promise in the ongoing hunt for exotic quantum materials. Here we identify…
Na$_2$IrO$_3$, a honeycomb 5$d^5$ oxide, has been recently identified as a potential realization of the Kitaev spin lattice. The basic feature of this spin model is that for each of the three metal-metal links emerging out of a metal site,…
Layered CoO$_2$ is of great interest for its promising properties but is meta-stable in its bulk form. CoO$_2$ was synthesized by converting the quasi-one-dimensional crystal structure of bulk Ca$_3$Co$_2$O$_6$ via a hydrothermal treatment.…