Techniques are described for growing single crystals ofthe transition metal dichalcogenide compounds Nb1 — ~Ta~Se2(0 ~ x ~ 0.20). Both iodine and selenium vapor transport have been used. A portion of the phase diagram has been determined, in order to produce the desired 2H polymorpoh for all compositions of interest. Measurement of the superconducting transition temperature is shown to be a use...

The group of macrocyclic tetrapyrrolic ligands which includes the porphins, chlorins and corrins, occur in several biologicafly important molecules in the form of metal complexes. Intermediate in structure between the porphins and the corrins are the corroles and the 1 -monosubstituted-, and 1,1 9-disubstituted tetradehydrocorrins. Syntheses and reactions of metal, particularly nickel, complexe...

Inelastic X-ray scattering spectroscopies form a versatile family of experimental techniques that are capable of probing the ground state properties as well as the single-particle and collective excitations of condensed-matter systems. Electronic excitations are of fundamental importance in determining the optical and transport properties of solids and also take part in the screening of the Cou...

– We study the classical 120-degree and related orbital models. These are the classical limits of quantum models which describe the interactions among orbitals of transitionmetal compounds. We demonstrate that at low temperatures these models exhibit a long-range order which arises via an “order by disorder” mechanism. This strongly indicates that there is orbital ordering in the quantum versio...

Electronic structures of d-electrons in the cubic Laves phase transition-metal compounds are calculated in the tight-binding approximation. By making use of the calculated density-of-states curves, various magnetic properties of these compounds are calculated and compared with experiment. The magnetic properties of the intermetallic compounds with the C15-type Laves phase structure have so far ...

Kagomé compounds containing two transition metal ions, Co(II) and Ni(II), in different proportions have been synthesized, and their magnetic properties have been found to exhibit interesting differences.

The one-third paradigm of PBE0 density functional, PBE0-1/3, has shown to be a successful method for various properties. In this paper, the applicability of PBE0-1/3 is put into broader perspective for transition metals chemistry. As a comparative study, the performance of PBE0 and PBE0-1/3 has been assessed for geometries and vibrational frequencies of some transition metal hydrides and transi...

The presence of aryl sulfides in biologically active compounds has resulted in the development of new methods to form carbon-sulfur bonds. The synthesis of aryl sulfides via metal catalysis has significantly increased in recent years. Historically, thiolates and sulfides have been thought to plague catalyst activity in the presence of transition metals. Indeed, strong coordination of thiolates ...

The emergence of the field of spintronics has brought half-metallic ferromagnets to the centre of scientific research. A lot of interest was focused on newly created transition-metal pnictides (such as CrAs) and chalcogenides (such as CrTe) in the metastable zinc-blende lattice structure. These compounds were found to have the advantage of high Curie temperatures in addition to their structural...