Related papers: Selective doping Barlowite for quantum spin liquid…
In the vanadium oxyfluoride compound (NH$_4$)$_2$[C$_7$H$_{14}$N][V$_7$O$_6$F$_{18}$] (DQVOF), the V$^{4+}$ (3d$^1$, $S=1/2$) ions realize a unique, highly frustrated breathing kagome lattice composed of alternately-sized, corner-sharing…
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…
Using the first-principles density functional approach, we investigate Ca$_2$FeOsO$_6$, a material of double perovskite structure synthesized recently. According to the calculations, Ca$_2$FeOsO$_6$ is a ferrimagnetic Mott-insulator…
We construct and analyze a microscopic model for insulating rock salt ordered double perovskites, with the chemical formula A$_2$BB'O$_6$, where the B' atom has a 4d$^1$ or 5d$^1$ electronic configuration and forms a face centered cubic…
Over the last few years of the heyday of hybrid halide perovskites, so many metal cations additives have been tested to improve their optoelectronic properties that it is already difficult to find an element that has not yet been tried. In…
Orbital selectivity is pivotal in dictating the phase diagrams of multiorbital systems, with prominent examples including the orbital-selective Mott phase and superconductivity, etc. The intercalation of anisotropic layers represents an…
Recently, layered honeycomb cobaltates have been predicted as a new promising system for realizing the Kitaev quantum spin liquid, a many-body quantum entangled ground state characterized by fractional excitations. However, these…
We introduce and investigate an effective five-band model for $t_{2g}$ and $e_g$ electrons to describe doped cobalt oxides with Co$^{3+}$ and Co$^{4+}$ ions in two-dimensional CoO$_2$ triangular lattice layers, as in Na$_{1-x}$CoO$_2$. The…
In two-dimensional incompressible quantum spin liquids, a large enough magnetic field generically induces "doping" of polarized S=1 triplons or S=1/2 spinons. We review a number of cases such as spin-3/2 AKLT or spin-1/2 Resonating Valence…
We present a Raman spectroscopic investigation of the Herbertsmithite ZnCu3(OH)6Cl2, the first realization of a Heisenberg s=1/2 antiferromagnet on a perfect kagome lattice. The magnetic excitation spectrum of this compound is dominated by…
Doping of quantum antiferromagnets is an established approach to investigate the robustness of their ground state against the competing phases. Predictions of doping effects on the ground state of the Shastry-Sutherland dimer model are here…
We report the synthesis, crystal structure, and magnetic properties of Co$^{2+}$ kagome magnets Co$_3$V$_2$O$_7$(OH)$_2$$\cdot$2H$_2$O and BaCo$_3$(VO$_4$)$_2$(OH)$_2$, which can be recognized as Co-analogues of the intensively researched…
The spin-1/2 antiferromagnetic Heisenberg model on a Kagome lattice is geometrically frustrated, which is expected to promote the formation of many-body quantum entangled states. The most sought-after among these is the quantum spin liquid…
Na$_4$Ir$_3$O$_8$ provides a material platform to study three-dimensional quantum spin liquids in the geometrically frustrated hyperkagome lattice of Ir$^{4+}$ ions. In this work, we consider quantum spin liquids on hyperkagome lattice for…
Quantum spin liquids (QSLs) are exotic phases of matter exhibiting long-range entanglement and supporting emergent gauge fields. A vigorous search for experimental realizations of these states has identified several materials with…
Doping lithium-ion battery electrode materials LiMO$_2$ (M = Co, Ni, Mn) with impurities has been shown to be an effective way to optimize their electrochemical properties. Here, we report a detailed first-principles study of layered oxides…
Spin liquids are exotic phases of quantum matter challenging Landau's paradigm of symmetry-breaking phase transitions. Despite strong exchange interactions, spins do not order or freeze down to zero temperature. While well-established for…
Crystal and magnetic structures of the mineral centennialite CaCu$_3$(OH)$_6$Cl$_2\cdot0.6$H$_2$O are investigated by means of synchrotron x-ray diffraction and neutron diffraction measurements complemented by density functional theory…
We report $^{35}$Cl NMR, ESR, $\mu$SR and specific heat measurements on the $S=1/2$ frustrated kagom\'e magnet kapellasite, $\alpha-$Cu$_3$Zn(OH)$_6$Cl$_2$, where a gapless spin liquid phase is stabilized by a set of competing exchange…
The development of efficient and stable intermediate-temperature solid oxide fuel cells (SOFCs) necessitates high-performance cathode materials that are cobalt-free, cost-effective, and compatible with proton-conducting electrolytes. While…