Strain‐Induced Slater Transition in Polar Metal LiOsO 3

Infrared evidence of a Slater metal-insulator transition in NaOsO3

The magnetically driven metal-insulator transition (MIT) was predicted by Slater in the fifties. Here a long-range antiferromagnetic (AF) order can open up a gap at the Brillouin electronic band boundary regardless of the Coulomb repulsion magnitude. However, while many low-dimensional organic conductors display evidence for an AF driven MIT, in three-dimensional (3D) systems the Slater MIT sti...

Copolymerization of polar monomers with olefins using transition-metal complexes.

Transition-metal catalysts long ago made it from the laboratory bench to the polymerization reactor. Indeed, they are being used around the world to make more than 70 million tons of polyethylene and polypropylene a year. Transition-metal catalysts give polyolefin producers unprecedented flexibility in process and polymer design. However, there are still new worlds for catalysts to conquer. One...

Electronic Band Structure of Transition Metal Dichalcogenides from Ab Initio and Slater–Koster Tight-Binding Model

Semiconducting transition metal dichalcogenides present a complex electronic band structure with a rich orbital contribution to their valence and conduction bands. The possibility to consider the electronic states from a tight-binding model is highly useful for the calculation of many physical properties, for which first principle calculations are more demanding in computational terms when havi...

Metal - Metal Bonding in Transition - Metal Clusters with Open d Shells : Pt 3 1197

Ab initio generalized valence bond with configuration interaction calculations have been performed for low-lying electronic states of Pt3. The calculations utilize the relativistic effective core potential developed by Hay and Wadt. Under the constraint of C, symmetry, seven states derived from three d9sl-like Pt atoms (3A1, 5B2, 'B1, 3A2, and 5BI) are predicted to have geometries slightly dist...

Explorer Metal - Insulator Transition and Orbital Order in PbRuO 3