Related papers: Li doping kagome spin liquid compounds
The kagome lattice is very attractive as it can host many novel quantum states, such as the charge density wave, superconductivity, quantum spin liquid, etc. Meanwhile, iridates often exhibit a strong spin-orbit coupling (SOC) effect due to…
We report a detailed first-principles study of doping in Li$_2$MnO$_3$, in both the dilute doping limit and heavy doping, using hybrid density-functional calculations. We find that Al, Fe, Mo, and Ru impurities are energetically most…
The complex iridium oxide Na3Ir3O8 with a B-site ordered spinel structure was synthesized in single crystalline form, where the chiral hyper-kagome lattice of Ir atoms, as observed in the spin-liquid candidate Na4Ir3O8, was identified. The…
The Ca$_2$MnReO$_6$ double perovskite is a spin-orbit-assisted Mott insulator with exotic magnetic properties, including a largely non-collinear Mn$^{2+}$ spin arrangement and nearly orthogonal coupling between such spins and the much…
We report 17O NMR measurements in the S=1/2 Cu2+ kagome antiferromagnet Herbertsmithite ZnCu3(OH)6Cl2 down to 45mK in magnetic fields ranging from 2T to 12T. While Herbertsmithite displays a gapless spin-liquid behavior in zero field, we…
In recent work, we argued that a particular algebraic spin liquid (ASL) may be the ground state of the S = 1/2 kagome lattice Heisenberg antiferromagnet. This state, which lacks a spin gap, is appealing in light of recent experiments on…
Quantum spin liquids are exotic Mott insulators that carry extraordinary spin excitations and thus, when doped, expected to afford novel metallic states coupled to the unconventional magnetic excitations. The organic triangular-lattice…
Li-containing argyrodites represent a promising family of Li-ion conductors with several derived compounds exhibiting room-temperature ionic conductivity > 1 mS/cm and making them attractive as potential candidates as electrolytes in…
The effect of the quenched bond-randomness on the ordering of the $S=1/2$ antiferromagnetic Heisenberg model on the kagome lattice is investigated by means of an exact-diagonalization method. When the randomness exceeds a critical value,…
The spin-1/2 kagome lattice antiferromagnet herbertsmithite, ZnCu$_{3}$(OH)$_{6}$Cl$_{2}$, is a candidate material for a quantum spin liquid ground state. We show that the magnetic response of this material displays an unusual scaling…
Very recently, a 3$d$ based honeycomb cobaltate Na$_2$Co$_2$TeO$_6$ has garnered tremendous attention due to the proposed proximity to the Kitaev spin-liquid state as its 4$d$/5$d$ counterparts. Here, we use Zn to substitute Co in a broad…
In this study, we explore lithium-doped stable molecular hydrogen structures by performing first-principles crystal structure searches across varying compositions in the Li-H system under high pressure. Our search reveals a cubic phase of…
The exploration of topological electronic phases that result from strong electronic correlations is a frontier in condensed matter physics. One class of systems that is currently emerging as a platform for such studies are so-called kagome…
The superconducting properties of uniformly hole-doped perovskite hydride KMgH$_3$ with varying doping concentration and lattice parameter corresponding to different pressures were investigated from first principles. The superconducting…
The kagome lattice of spin-1/2 copper atoms in herbertsmithite is conjectured to sustain a quantum spin liquid state with spinon quasiparticles. Ideally, the kagome crystal planes are each separated by a plane of spinless zinc atoms.…
High-$T_c$ superconductivity (SC) was recently found in the bilayer material La$_3$Ni$_2$O$_7$ (La327) under high pressures. We study the bilayer two-orbital Hubbard model derived from the band structure of the La327. The model is solved by…
A lithium-doped magnesium hydride Li$_2$MgH$_{16}$ was recently reported [Y. Sun $et$ $al$., Phys. Rev. Lett. {\bf 123}, 097001 (2019)] to exhibit the highest ever predicted superconducting transition temperature $T_{\rm c}$ under high…
The newly identified field-induced up-up-down order in Ba$_3$CoSb$_2$O$_9$ etc. renewed attention on exotic phases in spin-1/2 triangular-lattice antiferromagnets. Here, we report a unique zero-field noncoplanar up,up,down, down,down,up…
We study the electronic instabilities of the Hubbard model in the 1/6 hole-doped Kagome lattice using the variational cluster approach. The 1/6 hole doping is unique in the sense that the Fermi level is at the von Hove singularity and the…
The path from a Mott insulating phase to high temperature superconductivity encounters a rich set of unconventional phenomena involving the insulator-to-metal transition (IMT) such as emergent electronic orders and pseudogaps that…