Cu 14 Cluster with Partial Cu(0) Character: Difference in Electronic Structure from Isostructural Silver Analog

Synthesis and magnetic properties of two isostructural fluorophosphates BaMPO4F (M = Cu, Co) with a tunnel structure.

Two fluorophosphates, BaMPO4F (M = Cu, Co), have been synthesized by a conventional hydrothermal method, and they crystallize in the orthorhombic system with the space group P212121, exhibiting a tunnel structure built by distorted MO4F square-pyramids and PO4 tetrahedra. The magnetic behaviors of the two compounds are investigated by means of magnetic susceptibility, magnetization, and heat ca...

Cu cluster shell structure at elevated temperatures.

Crystal structure of KBSi30g isostructural with danburite

The crystal structure of KBSi,Os (orthorhombic, Pnam, with a = 8.683(1), b = 9.253(1), c = 8.272(1) A, V = 664.4(1) A3:Z = 4) has been determined by the direct method applied to 3dimensional reflection data. The structure of a microcrystal with the dimensions 20 x 29 x 37 ~m was refined to an unweighted residual of R = 0.031 using 386 non-zero structure amplitudes. KBSi30s adopts a structure es...

Electronic structure and magnetic properties of a trigonal prismatic Cu(II)6 cluster.

A combination of detailed magnetisation studies and electronic-structure analysis using broken-symmetry DFT is used to explore the electronic structure of a trigonal prismatic Cu(II)(6) cluster. The presence of six paramagnetic metal centres with S = 1/2 gives rise to a maximum multiplicity of S = 3 and a total of 31 broken-symmetry states with M(S) < 3. Computed differences in energy between t...

Coherent electronic fringe structure in incommensurate silver-silicon quantum wells.

Atomically uniform silver films grown on highly doped n-type Si(111) substrates show fine-structured electronic fringes near the silicon valence band edge as observed by angle-resolved photoemission. No such fringes are observed for silver films grown on lightly doped n-type substrates or p-type substrates, although all cases exhibited the usual quantum-well states corresponding to electron con...