Related papers: Electronic Structure of Hyperkagome Na4Ir3O8
Frustrated systems are ubiquitous and interesting because their behavior is difficult to predict. Magnetism offers extreme examples in the form of spin lattices where all interactions between spins cannot be simultaneously satisfied. Such…
The collective behavior of interacting magnetic moments can be strongly influenced by the topology of the underlying lattice. In geometrically frustrated spin systems, interesting chiral correlations may develop that are related to the spin…
Based on first principles calculations, the electronic structure of CuTeO$_4$ is discussed in the context of superconducting cuprates. Despite some significant crystallographic differences, we find that CuTeO$_4$ is similar to these…
The structural and magnetic properties of the two-dimensional spin-$1/2$ depleted-kagome compound Cu$_7$(TeO$_3$)$_2$(SO$_4$)$_2$(OH)$_6$ are investigated using x-ray diffraction, magnetization, heat capacity, and $^1$H Nuclear Magnetic…
We report structural and electronic properties of Na$_2$Ni$_3$S$_4$, a quasi-two-dimensional compound composed of alternating layers of [Ni$_3$S$_4$]$^{2-}$ and Na$^{+}$. The compound features a remarkable Ni-based kagome lattice with a…
A geometrically frustrated lattice may host frustrated electron spin or charge states that spawn exotic quantum phases. We show that a newly synthesized metal-organic framework of Cu-Hexaaminobenzene [Cu$_3$(HAB)$_2$] exhibits a multi…
Spin liquid states for spin-1/2 antiferromagnetic Heisenberg model on a hyperkagome lattice are studied. We classify and study flux states according to symmetries. Applying this model to Na4Ir3O8, we propose that the high temperature state…
Magnetic and electronic states of an Ising-spin Kondo lattice model on a kagome lattice are investigated by a Monte Carlo simulation. In addition to the conventional ferromagnetic and ferrimagnetic orders, we show that this model exhibits…
We report a comprehensive investigation of the physical properties of LuOs3B2, characterized by an ideal Os-based kagome lattice. Resistivity and magnetization measurements confirm the emergence of type-II bulk superconductivity with a…
Magnetic frustration in two-dimensional spin lattices with triangular motifs underpins a series of exotic states, ranging from multi-Q configurations to disordered spin-glasses. The antiferromagnetic kagome lattice, characterized by its…
We study the antiferromagnetic spin-1/2 Heisenberg model on the highly frustrated, three-dimensional, hyperkagome lattice of Na_4Ir_3O_8 using a series expansion method. We propose a valence bond crystal with a 72 site unit cell as a ground…
A highly geometrically frustrated lattice structure such as a distorted kagome (or quasikagome) structure enriches physical phenomena through coupling with the electronic structure, topology, and magnetism. Recently, it has been reported…
Motivated by an experimental report of iridate superlattices, we performed first-principle electronic structure calculations for SrIrO$_3$/SrTiO$_3$. Heterostructuring causes SrIrO$_3$ to become Sr$_2$IrO$_4$-like, and the system has the…
The Kagome lattice is an important fundamental structure in condensed matter physics for investigating the interplay of electron correlation, topology, and frustrated magnetism. Recent work on Kagome metals in the AV3Sb5 (A = K, Rb, Cs)…
We present a theory for the metal-insulator transition (MIT) in the quantum-spin-liquid candidate material Na4Ir3O8. We consider an extended Hubbard model on the hyperkagome lattice, which incorporates atomic spin-orbit coupling (SOC) and…
We present the crystal structure and magnetic properties of Y$_{3}$Cu$_{9}$(OH)$_{19}$Cl$_{8}$, a stoichiometric frustrated quantum spin system with slightly distorted kagome layers. Single crystals of Y$_{3}$Cu$_{9}$(OH)$_{19}$Cl$_{8}$…
We investigate the lattice dynamics in the spin-1/2 frustrated kagome compound herbertsmithite ZnCu$_3$(OH)$_6$Cl$_2$ by a combination of infrared spectroscopy measurements and ab initio density functional theory calculations, and provide…
Metal-organic frameworks (MOFs), which are self-assemblies of metal ions and organic ligands, provide a tunable platform to search a new state of matter. A two-dimensional (2D) perfect kagome lattice, whose geometrical frustration is a key…
Based on Kitaev-Heisenberg model with Dzyaloshinskii-Moriya (DM) interactions, we studied nature of possible magnetic phases in frustrated hyperkagome iridate, Na$_4$Ir$_{3}$O$_8$ (Na-438). Using Monte-Carlo simulation, we showed that the…
Density functional calculations of the electronic structure of the complex hydride NaAlH4 and the reference systems NaH and AlH3 are reported. We find a substantially ionic electronic structure for NaAlH4, which emphasizes the importance of…