Related papers: The honeycomb and hyperhoneycomb polymorphs of IrI…
Prediction of high-$T_{\rm{c}}$ superconductivity in hole-doped Li$_x$BC two decades ago has brought about an extensive effort to synthesize new materials with honeycomb B-C layers, but the thermodynamic stability of Li-B-C compounds…
Silica or SiO$_2$, the main constituent of earth's rocks has several 3D complex crystalline and amorphous phases, but it does not have a graphite like layered structure in 3D. Our theoretical analysis and numerical calculations from the…
The structural and magnetic properties of a new series of iridium-based honeycomb lattices with the formula Na3-delta(Na1-xMgx)Ir2O6 (x = 0 to 1) are reported. As x and delta are increased, the honeycomb lattice contracts and the strength…
Polytypism of incommensurately modulated structures was hitherto unobserved. Here, we found the phenomenon in simple halogen systems of bromine and iodine upon molecular dissociation in the solids under pressure. Single-crystal synchrotron…
We report that Na2IrO3, which has a layered honeycomb iridium oxide sublattice interleaved by Na planes, decomposes in laboratory air while maintaining the same basic crystal structure. The decomposition reaction was monitored by…
We studied the electronic structure of $\beta$-Li$_2$IrO$_3$ insulator within the density-functional theory using the generalized gradient approximation with taking into account strong Coulomb correlations in the framework of the fully…
A new-type structural transition has been found in Li2RuO3 with honeycomb lattice of edge-sharing RuO6-octahedra. With decreasing temperature T, the electrical resistivity exhibits an anomalous increase at T=Tc~540 K, suggesting the (metal…
The crystal structure and magnetic property of the single crystalline hexagonal rare-earth indium oxides GdInO$_3$ have been studied by combing experiments and model calculations. The two inequivalent Gd$^{3+}$ ions form the centered…
A new silicene-like family of reconstructed surfaces on Si111 are discussed which appears to be a polymorph to the well know family of surface reconstructions best epitomized by the 7x7 surface. Several experimental features are discussed…
Using the ab initio approaches, the comparative stability, structural, elastic, and electronic properties of three polymorphs of the superconducting disilicide YIr2Si2, which differ in the atomic configurations of [Ir2Si2] (or [Si2Ir2])…
We have investigated experimentally and theoretically the series (Na$_{1-x}$Li$_{x}$)$_{2}$IrO$_{3}$. Contrary to what has been believed so far, only for $x\leq0.25$ the system forms uniform solid solutions. For larger Li content, as…
We study the general phase diagram of correlated electrons for iridium-based (Ir) compounds on the hyperhoneycomb lattice---a crystal structure where the Ir$^{4+}$ ions form a three-dimensional network with three-fold coordination recently…
We report magnetization and neutron diffraction studies on crystal and magnetic structures of Ir- and Rh-substituted honeycomb lattice $\alpha$-RuCl$_3$. The iridium or rhodium atoms are distributed at the Ru site with little structural…
Semimetals, in which conduction and valence bands touch but do not form Fermi surfaces, have attracted considerable interest for their anomalous properties starting with the discovery of Dirac matter in graphene and other two-dimensional…
The discovery of massless Dirac electrons in graphene and topological Dirac-Weyl materials has prompted a broad search for bosonic analogues of such Dirac particles. Recent experiments have found evidence for Dirac magnons above an…
Entanglement of charge orderings and other electronic orders such as superconductivity is in the core of challenging physics issues of complex materials including high temperature superconductivity. Here, we report on the observation of a…
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…
In quantum magnetism spin dimers are typically associated with spin-singlet states. To date, $triplet$ $dimerization$ has not been observed in any 3D or quasi-2D material. With this in mind we here discuss the electronic structure of the…
Using first-principles plane wave calculations, we investigate two dimensional honeycomb structure of Group IV elements and their binary compounds, as well as the compounds of Group III-V elements. Based on structure optimization and phonon…
A silicene-like polymorph of the Si111 7x7 surface is proposed that resolves numerous experimental paradoxes and inconsistencies arising over the past 34 years. An analysis of the three established surface state charge densities from atom…