electronic configurationLa 2Li 0.5Co 0.5O 4 phaselayer structureCo(+III)In a D 4h site with a strong elongation the 3A 2g term of cobalt (+III) can be stabilized with an electronic configuration intermediate between low spin ( 1A 1g) and high spin ( 5E g): d 2 xzd 2 yzd 1 xyd ...
From ab-initio calculations with a minimal basis set, close energy values are indeed computed for these four configurations with the lowest one (ground state configuration) corresponding to a charge-transfer configuration Co(III)-O 2 2 , in agreement with the results of ESR spectroscopy from the...
It is found that Co substitutes Zn site in the host, and this doped configuration favors the ferromagnetic ground state. Electronic structure calculation shows that total magnetic moment for the supercell is 3.03 碌B, which is mainly, contributed by Dopant (Co) 2.45 碌B. The compound is found...
On the basis of these spectroscopic and theoretical analyses, 1 is best described as containing an intermediate spin Fe(II) ion, whereas for the corresponding cobalt complex, oxidation states describing a d6 (CoIII) or d7 (CoII) electron configuration cannot be unambiguously assigned. The ...
The x-ray photoelectron Co 2 p spectrum of the ZnS:Co crystal indicates a 3 d configuration of the ground state of cobalt and strong covalence of the cobalt-sulfur bond, but somewhat weaker than for CoS. It is established that the edge of the valence band recedes by 0.7±0.1 eV in ...
Theoretical work will focus on the accurate treatment of electronic interactions, the configuration interaction description of closely spaced Ni states and ... JL Whitten 被引量: 0发表: 1985年 The Validity of Electrochemical Methods for Measuring Corrosion Rates of Copper-Nickel Alloys in Sea Water ...
Each octahedrally coordinated cobalt ion is forced into a low-spin electron configuration by the anionic oxo and carboxylato ligands, and a fractional electron hole is localized on each metal center in a Co 3dxz,yz-based molecular orbital for this essentially [Co+3.1254O4] system. Comparing ...
The electronic absorption spectra of the hexaquo ions of trivalent titanium, vanadium, manganese, and cobalt in host crystals of C(NH2)3Al(SO4)2·6 H2O and of (Ti, Al)Cl3·6 H2O are presented and discussed in relation to earlier studies on the hexaquochromium(III) ion in these and rel...
Our calculations show that Co encapsulation decreases the conductivity by atleast 15% for 11 nm thick Cu film. It is speculated that a thin cap of cobalt would be better for advanced Cu interconnects. Due to its stronger interaction with surface Cu atoms, Co adversely affects the electronic...
The geometric configuration of type I is found to be the most stable state for both of these alloys as delineated in Fig. 2 through three different types. The structure is optimized in three phases, i.e., spin-polarized (Ferromagnetic FM), non-spin-polarized (non-magnetic NM) and anti-...