Defect Structure of the Tetragonal Cu

Key words: Copper Ion Complexes, Potential Energy Surface, Gas Separation, Binding Energies, NBO Analysis,

Glassy carbon rotating disk electrode experiments have shown that the electron transfer of the reduction reaction of the Cu 2 + -histidine complexes is close to 2. Key words: Cu 2 + -

The defect structure and the anisotropic g factorsof a tetragonal Ni 3 + center in PbTiO 3 are the- oretically investigated from improved perturbation formulas of the g factorsfor a

1.) The local distance ∆ Z , smaller than the host ∆ Z, can be illustrated by the modification of local struc- ture properties around the impurity Ni 3+ replacing the Ti 4+. Since

In this paper, formulas for the calculation of the three g factors of 3d 9 ions in an orthorhombic field D 2h have been given.. With these formulas, the tendency of the g fac- tors

In these formulas, the contributions to the g factors from the second-order perturbation terms and the admixtures of various states are taken into account. The calculated g

In order to investigate theoretically the local struc- ture of a tetragonal Er 3+ center in CaO, which might be helpful to understand the properties of this material doped with Er

a Institute of Applied Physics and College of Electronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065,