The studies of the spin Hamiltonian parameters and local structures for various 3d3 hexacyanometallates of paramagnetic salts with diluents

The spin Hamiltonian parameters (SHPs) ([Formula: see text] factors, hyperfine structure constants and zero-field splittings (ZFSs)) and local structures for various [Formula: see text] hexacyanometallates of paramagnetic salts K3Cr(CN)6 and K4V(CN)[Formula: see text]3H2O with the diluents K3Co(CN)6, K3Mn(CN)6 and K4Fe(CN)[Formula: see text]3H2O are theoretically investigated from the perturbation calculations of these parameters for a rhombically distorted octahedral [Formula: see text] cluster. The paramagnetic systems are found to undergo the local axial distortions [Formula: see text] [Formula: see text]0.19, −0.18 and 0.09 Å[Formula: see text] and the planar bond angle variations [Formula: see text] [Formula: see text] 3.5[Formula: see text], 5.3[Formula: see text] and 1.4[Formula: see text] for K3Cr(CN)6 with K3Co(CN)6, K3Cr(CN)6 with K3Mn(CN)6 and K4V(CN)[Formula: see text]3H2O with K4Fe(CN)[Formula: see text] 3H2O, respectively. The signs for ZFSs [Formula: see text] and [Formula: see text] are analyzed in the light of those for [Formula: see text] and the rhombic distortion angle [Formula: see text] [Formula: see text] related to an ideal octahedron. Microscopically, the magnitudes of [Formula: see text] and [Formula: see text] can be conveniently illustrated by the axial (ADD) and perpendicular distortion degrees (PDD), respectively, for the paramagnetic systems with the corresponding diluents. The local structural properties are analyzed from the relative ionic radius deviation [Formula: see text] of the equivalent diluent cation from the host paramagnetic cation, the axial and perpendicular ZFS variations [Formula: see text] and [Formula: see text] for ZFSs with the diluent related to the host, the relative deviation [Formula: see text]Dq of the cubic crystal-field parameter for the diluent related to the host. The above studies would be helpful to the investigations on synthesis, structures and properties of [Formula: see text] hexacyanometallates in paramagnetic salts.

Study on Spectra and Mg-O Bond-Length of NaMg3Al(MoO4)5: Cr3+ Crystal at Low Temperature

Considering the crystal field parameter Dq and average covalent factor N, the energy levels of NaMg3Al(MoO4)5: Cr3+ crystal at 295 K are calculated by diagonalizing the energy matrix of 3d3. At low temperature 9 K the bond length of Mg-O is calculated by adjusting the value to fit the spectra of Mg site. The value of Mg-O bond length is 2.0528 Å. The equation relationship of Mg-O between bond length and temperature is achieved.The calculated values are consistent with the experimental spectra.

An Investigation of Absorption Spectra of Li2GeO3: Cr3+ Crystal

Considering the crystal field parameter B, C and average covalent factor N, the energy levels of Li2GeO3: Cr3+ crystal are calculated by diagonalizing the energy matrix of 3d3. The experimental data are compared with calculated results. The results show that the calculated results are in agreement with experiments. Absorb spectra are successfully identified.

Fabrication and Optical Properties of Cr3+:YSAG Transparent Ceramics

Cr-doped Y3ScxAl(5-x)O12(Nd:YSAG) powder have been prepared with a combustion method. The powders are nanosized and a pure cubic phase when calcined at 900°C. Transparent Cr:YSAG ceramics were successfully fabricated by sintering the powder compact at 1800°C under H2 atmosphere. The optical properties were investigated in detail. It was found that after Sc substitute for Al, the The octahedral crystal-field parameter Dq and Dq/B was reduced, and that is why the absorption peak move to the longer wavelength side but the emission peak not moved.

Study on the Absorption Spectra of Ga2Se3:Co2+ Single Crystals

Introducing the average covalent factor N and considering the interaction of the cubic crystal field, the spin-orbit coupling and Tree’s correction effects, the crystal field parameter Dq was calculated. Also the varying tendency of Dq with the bond length R was investigated. Using the complete diagonalizing method the energy levels of the fine structure of Ga2Se3:Co2+ single crystal were calculated and assigned. The calculated and assigned results are consistent with the experimental data