A7125P Electronic structure of crystalline metals and alloysA simple metallic band model is proposed for the transition metal monoantimonides, by analogy to the transition metals. It is assumed that the metal 3
Three distinct lines of experimental work now point towards a new conception of the electronic structure of the transition metals. Recent x-ray work has shown that in Fe and Cr the valence electrons are not as well localized near the atoms as had been supposed, while in Co, Ni and Cu ...
CheminformG. Allan, Elementary electronic structures in semiconductors and transition metals, in Electronic Structure of Crystal Defects and of Disordered Systems, Summer School Aussois September 1980, Fr. Gautier, M. Gerl and P. Guyot, eds., E´ ditions de Physique, Les Ulis, 1981, p.3....
The valence photoelectron spectra of HSiCl3 and CpMn(CO)2HSiCl3 (Cp = n5-C5H5) have been obtained to provide a measure of the electronic structure factors that contribute to the interaction of the Si-H bond with a transition-metal center. The lowest valence ionizations of other CpMn(CO)...
In this article, we discuss electronic structures of transition metal oxides, with particular emphasis on the LaMO3 series. High energy spectroscopic studies exhibit systematic variations in different parameter strengths. The significance of these parame
P. N. D’yachkov, Electronic Properties and Application of Nanotubes (Binom/Laboratoriya znanii, Moscow, 2011) [in Russian]. About this Article Title Electronic structure of boron nitride nanotubes intercalated with transition metals Journal Russian Journal of Inorganic Chemistry Volume 59, Issue...
The electronic structure of hydrogen in ferromagnetic transition metals is described in a generalized tight-binding model. Our numerical results in the case of NiH alloys are essentially characterized by an increase of the density of states at the Fermi level and a negative variation of the total ...
The geometric structures of transition metals (Fe, Co, Ni and Zn) doped rutile TiO2 are studied using the first-principles method based on the density functional theory. The lattice parameters, the electronic energy band structure, and the optical properties are calculated and discussed. The result...
Surface electronic structure and reactivity of transition and noble metals We present self-consistent density functional calculations using the LMTO-ASA method of the variations in the surface electronic structure for pseudomorfic... A Ruban,B Hammer,P Stoltze,... - 《Journal of Molecular Catalysis...
Here, we use X-ray spectroscopy and density functional theory to show that the electronic structure of LaNiO2 and NdNiO2, while similar to the cuprates, includes significant distinctions. Unlike cuprates, the rare-earth spacer layer in the infinite-layer nickelate supports a weakly interacting ...