Related papers: Partial molecular orbitals in face-sharing 3$d$ ma…
Ba4NbMn3O12 is reported, synthesized by a solid state method in air. The crystal structure, determined by performing refinements on room temperature powder X-ray diffraction data by the Rietveld method, consists of Mn3O12 trimers in the…
Recently synthesised Ba4NbMn3O12 belong to cluster magnets - systems with tightly bound groups of magnetism ions, in this case Mn3 trimers. Often such magnetic clusters can be described by molecular orbitals (MO), however strong electron…
A recently synthesised series of isostructural compounds Ba$_4$NbTM$_3$O$_{12}$ (TM = Mn, Rh and Ir) with transition-metal trimers in a face-sharing geometry makes it possible to examine a tendency to the molecular orbitals (MO) formation…
Novel understanding of the recent nanomagnet tailoring experiments and the possibility to further unveil the mechanisms by which the magnetic interactions arise in an atom by atom fashion covers importance as the demand for spin qubit and…
We have performed x-ray linear and circular magnetic dichroism experiments at the Mn L2,3-edge of the La0.7Sr0.3MnO3 ultra thin films. Our measurements show that the antiferromagnetic (AF) insulating phase is stabilized by the interfacial…
We have investigated the electronic structure of Ba4NbIr3O12 within the density-functional theory (DFT) using the generalized gradient approximation while considering strong Coulomb correlations (GGA+U) in the framework of the fully…
We report a structural/magnetic investigation by X-ray absorption spectroscopy (XAS), neutron diffraction, dc-susceptibility ($\chi_{\mbox{dc}}$) and electron spin resonance (ESR) of the 12R-type perovskite BaTi$_{1/2}$Mn$_{1/2}$O$_{3}$.…
The insulating mixed-valent Ir$^{+3.66}$ compound Ba$_4$NbIr$_3$O$_{12}$ hosts two holes per Ir$_3$O$_{12}$ trimer unit. We address the electronic structure via resonant inelastic x-ray scattering (RIXS) at the Ir $L_3$ edge and exact…
We study theoretically a triangular cluster of three magnetic impurities, hybridizing locally with conduction electrons of a metallic host. Such a cluster is the simplest to exhibit frustration - an important generic feature of many complex…
Crystal and magnetic structures of a series of novel quantum spin trimer system Ca3Cu3xNix(PO4)4 (x=0,1,2) were studied by neutron powder diffraction at the temperatures 1.5-290 K. The composition with one Ni per trimer (x=1) has a…
Correlated electron materials with molecular orbital states extending over transition metal clusters can host multiferroicity, spin frustration, and unconventional insulating phases. However, the fundamental criteria that govern cluster…
The crystal structure of Ba4NbRu3O12 is based on triangular planes of elongated Ru3O12 trimers oriented perpendicular to the plane. We report that it is semiconducting, that its Weiss temperature and effective magnetic moment are -155 K and…
Ba4NbIr3O12, a previously unreported material with a triangular planar geometry of Ir3O12 trimers, is described. Magnetic susceptibility measurements show no magnetic ordering down to 1.8 K despite the Curie-Weiss temperature of -13 K. The…
We report $\textit{ab-initio}$ density functional theory calculation and Raman scattering results to explore the electronic structure of Ba$_5$CuIr$_3$O$_{12}$ single crystals. This insulating iridate, consisting of face-sharing IrO$_6$…
La$_4$Cu$_3$MoO$_{12}$ is a cluster antiferromagnet where copper spin-1/2 form a network of st rongly coupled spin-trimers. The magnetic properties of this material have bee n examined using magnetic neutron scattering. At low temperatures,…
The electronic structure and magnetic moments of free Mn$_2^+$ and Mn$_3^+$ are characterized by $2p$ x-ray absorption and x-ray magnetic circular dichroism spectroscopy in a cryogenic ion trap that is coupled to a synchrotron radiation…
Crystal growth of MnBi$_{2}$Te$_{4}$ has delivered the first experimental corroboration of the 3D antiferromagnetic topological insulator state. Our present results confirm that the synthesis of MnBi$_{2}$Te$_{4}$ can be scaled-up and…
The choice of molecular orbitals is decisive in configuration interaction calculations. In this letter, a democratic description of the ground and excited states follows an orthogonally constrained orbitals optimization to produce…
Barium ruthenate Ba$_{4}$Ru$_{3}$O$_{10}$, in which Ru$_{3}$O$_{12}$ trimers are connected together to form a chequered two-dimensional framework, has been synthesised and its structural, magnetic and transport properties studied between…
As a prototypical self-organization in the system with orbital degeneracy, we theoretically investigate trimer formation on a triangular lattice, as observed in LiVO2. From the analysis of an effective spin-orbital coupled model in the…