Electron Glass Phase with Resilient Zhang-Rice Singlets in LiCu_{3}O_{3}.

LiCu_{3}O_{3} is an antiferromagnetic mixed valence cuprate where trilayers of edge-sharing Cu(II)O (3d^{9}) are sandwiched in between planes of Cu(I) (3d^{10}) ions, with Li stochastically substituting Cu(II). Angle-resolved photoemission spectroscopy (ARPES) and density functional theory reveal two insulating electronic subsystems that are segregated in spite of sharing common oxygen atoms: a Cu d_{z^{2}}/O p_{z} derived valence band (VB) dispersing on the Cu(I) plane, and a Cu 3d_{x^{2}-y^{2}}/O 2p_{x,y} derived Zhang-Rice singlet (ZRS) band dispersing on the Cu(II)O planes. First-principle analysis shows the Li substitution to stabilize the insulating ground state, but only if antiferromagnetic correlations are present.

Formation of Defect-Dicubane-Type Ni Ln (Ln = Tb, Er) Clusters: Crystal Structures and Modeling of the Magnetic Properties.

In the field of molecular nanoclusters, cubane and defect-dicubane, or butterfly structures, are typical examples of tetranuclear metal core architectures. In this work, a halogenated and anionic Schiff-base ligand (L) is utilized as it is predisposed to chelate within a cluster core to both 3d and 4f metal ions, in different binding configurations (HL = 4-chloro-2-(2-hydroxy-3-methoxybenzyliden amino)phenol). The phenolate oxygen atoms of the deprotonated ligand can act in μ-O and μ-O bridging binding modes for the intramolecular assembly of metal ions.

Multimodeling Approach to Ferromagnetic Spin-Wave Excitations in the High-Spin Cluster MnSr Observed by Inelastic Neutron Scattering.

The magnetism of the mixed-valence high-spin cluster [MnSrO(N)Cl(MedhmpH)(MeCN)]Cl () exhibiting intramolecular ferromagnetic interactions was studied using inelastic neutron scattering (INS), and reliable values for the exchange coupling constants were determined based on the quality of simultaneous fits to the INS and magnetic data. The challenge of the huge size of the Hilbert space (3 375 000) and many exchange coupling constants (7 assuming a symmetry) generally encountered in large spin clusters was resolved as follows: (a) The results of the restricted Hilbert space ferromagnetic cluster spin wave theory were compared to the experimental spectroscopic data. The observed INS transitions were thus assigned to spin wave excitations in a bounded ferromagnetic spin cluster and moreover could be visualized in a straightforward way based on this theory.

On the Border between Low-Nuclearity and One-Dimensional Solids: A Unique Interplay of 1,2,4-Triazolyl-Based {Cu(OH)} Clusters and Mo-Oxide Matrix.

A pentanuclear Cu-hydroxo cluster possessing an unusual linear-shaped configuration was formed and crystallized under hydrothermal conditions as a result of the unique cooperation of bridging 1,2,4-triazole ligand ( trans-1,4-cyclohexanediyl-4,4'-bi(1,2,4-triazole) ( tr cy)), Mo-oxide, and CuSO. This structural motif can be rationalized by assuming in situ generation of {CuMoO} anions, which represent heteroleptic derivatives of γ-type [MoO] further interlinked by [Cu(OH)] cations through [ N- N] bridges. The framework structure of the resulting compound [Cu(OH)( tr cy)MoO]·6HO (1) is thus built up from neutral heterometallic {Cu(OH)MoO} layers pillared with tetradentate tr cy.

Crystal Structure, Transport, and Magnetic Properties of an Ir(6+) Compound Ba8Al2IrO14.

The novel iridate Ba8Al2IrO14 was prepared as single crystals by self-flux method, thereby providing a rare example of an all-Ir(VI) compound that can be synthesized under ambient pressure conditions. The preparation of all-Ir(6+) iridate without using traditional high-pressure techniques has to our knowledge previously only been reported in Nd2K2IrO7 and Sm2K2IrO7. The monoclinic crystal structure (space group C2/m, No.