Energy levels and crystal-field parameters for Pr3+ and Nd3+ ions in rare earth (RE) tellurium oxides RE2Te4O11 revisited – Ascent/descent in symmetry method applied for triclinic site symmetry

2011 ◽  
Vol 33 (8) ◽  
pp. 1147-1161 ◽  
Author(s):  
M. Karbowiak ◽  
C. Rudowicz ◽  
P. Gnutek
Keyword(s):  
Rare Earth ◽  
Crystal Field ◽  
Energy Levels ◽  
Site Symmetry ◽  
Crystal Field Parameters ◽  
Symmetry Method

Theoretical Study of Energy Levels Splitting of Praseodymium-Doped Trichloride

2013 ◽  
Vol 774-776 ◽  
pp. 992-995
Author(s):  
Mei Ling Duan ◽  
Jin Hong Li ◽  
Xiao Feng Yang
Keyword(s):  
Rare Earth ◽  
Crystal Field ◽  
Ionic Radius ◽  
Theoretical Study ◽  
Energy Levels ◽  
Rare Earth Ions ◽  
Energy Matrix ◽  
Irreducible Tensor ◽  
Crystal Field Parameters ◽  
Complete Energy Matrix

A 91×91 complete energy matrix of 4f2configuration ion Pr3+in triagonal crystal fieldC3hhas been constructed based upon the combination of Racahs irreducible tensor with Slaters wavefunctions. Thus, the Stark energy levels of Pr3+in trichlorides LaCl3have been calculated. The calculation result shows that the complete energy matrix method is effective to analyze the energy levels splitting of the doped entity by rare earth ions. We also know that the consideration to the sixth-order crystal field parameters is indispensable and the ionic radius of the replaced ion will play an important role in the energy levels splitting of the doped systems.

scholarly journals Calculation Of The Crystal Field Parameters For Eu3+ Doped In SrAl2O4 And SrIn2O4 Spinels

2012 ◽  
Vol 56 (1) ◽  
pp. 132-138
Author(s):  
M. L. Stanciu
Keyword(s):  
Experimental Data ◽  
Rare Earth ◽  
Crystal Field ◽  
Energy Levels ◽  
Superposition Model ◽  
Strontium Aluminate ◽  
Intrinsic Parameters ◽  
Broadband Emission ◽  
Host Materials ◽  
Crystal Field Parameters

AbstractStrontium aluminate (SrAl2O4) and the indium aluminate (SrIn2O4) spinels have been proven to be efficient host materials, which offer the possibility of generating broadband emission after doping with rare earth trivalent ions. The present work is devoted to the calculation of the crystal field parameters and the energy levels of the trivalent europium doped in SrAl2O4 and SrIn2O4 spinels, using the superposition model of the crystal field. Using the intrinsic parameters for Eu3+-O2− bonds, and the geometry structure of the each crystal, we modeled the CFPs and simulated the low-lying energy levels schemes. The obtained results are compared with the experimental data and discussed.

scholarly journals Parametrization of Crystal Field Splittings of the 7Fj Levels in Eu3+ Doped Tetragonal Rare Earth Oxyhydroxides, REOOH :Eu 3+ (RE = Y and Lu)

1990 ◽  
Vol 45 (2) ◽  
pp. 173-178
Author(s):  
Jorma Hölsä
Keyword(s):  
Rare Earth ◽  
Crystal Field ◽  
Laser Excitation ◽  
Luminescence Spectra ◽  
Crystal Field Theory ◽  
Monoclinic Form ◽  
Experimental Energy Level ◽  
Crystal Field Parameters ◽  
Symmetry Method ◽  
The Eu

AbstractThe luminescence spectra of europium (3 + ) doped rare earth oxyhydroxides, REOOH :Eu3 + (RE = Y and Lu), were studied and analyzed at 77 and 300 K under UV and dye laser excitation. The observed 7F0_4 level schemes were simulated with the aid of the phenomenological crystal field theory. The descending symmetry method from C2v to Cs symmetry was used in the simulation. Good results were obtained with Cs symmetry simulation which yielded r.m.s. deviations of 6 and 7 cm -1 between the calculated and experimental 7F0_4 level schemes for YOOH:Eu3 + and LUOOH:EU3+, respectively. The C2v simulation was found inadequate to describe the experimental energy level schemes. The even rank crystal field parameters vary only slightly as a function of the host. Comparison with the corresponding values obtained for the monoclinic form of the Eu3 + doped RE oxyhydroxides reveals significant differences.

Ground configuration splitting in UCl5

1977 ◽  
Vol 55 (10) ◽  
pp. 937-942 ◽  
Author(s):  
A. F. Leung ◽  
Ying-Ming Poon
Keyword(s):  
Crystal Field ◽  
Energy Levels ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Point Charge Model ◽  
X Ray Crystallography ◽  
Charge Model ◽  
Crystal Field Parameters

The absorption spectra of UCl5 single crystal were observed in the region between 0.6 and 2.4 μm at room, 77, and 4.2 K temperatures. Five pure electronic transitions were assigned at 11 665, 9772, 8950, 6643, and 4300 cm−1. The energy levels associated with these transitions were identified as the splittings of the 5f1 ground configuration under the influence of the spin–orbit coupling and a crystal field of C2v symmetry. The number of crystal field parameters was reduced by assuming the point-charge model where the positions of the ions were determined by X-ray crystallography. Then, the crystal field parameters and the spin–orbit coupling constant were calculated to be [Formula: see text],[Formula: see text], [Formula: see text], and ξ = 1760 cm−1. The vibronic analysis showed that the 90, 200, and 320 cm−1 modes were similar to the T2u(v6), T1u(v4), and T1u(v3) of an UCl6− octahedron, respectively.

scholarly journals EPR of Gd3+ in a Single Crystal of Thorium disulfide (ThS2)

1981 ◽  
Vol 36 (11) ◽  
pp. 1163-1168
Author(s):  
G. Amoretti ◽  
D. C. Giori ◽  
V. Varacca
Keyword(s):  
Single Crystal ◽  
Crystal Field ◽  
Site Symmetry ◽  
Spin Hamiltonian ◽  
Fitting Procedure ◽  
Numerical Fitting ◽  
Crystal Field Symmetry ◽  
Field Symmetry ◽  
Crystal Field Parameters ◽  
Low Symmetry

In this paper we report the experimental angular behaviour of the EPR spectra for a single crystal of Thorium disulfide (ThS2) doped with Gd3+ at very low concentration (of the order of 10 p.p.m.). The experimental data are interpreted in terms of a spin Hamiltonian which reflects the crystal field symmetry at the Th site, that is monoclinic Cs, and therefore shows that the doping ions enter substitutionally without lowering the site symmetry. The low symmetry and the unusually large values of the crystal field parameters b20 and b22 have made it necessary to use a numerical fitting procedure, starting from the exact numerical diagonalization of the energy matrix for any given direction of the static magnetic field.

Sign in / Sign up

Export Citation Format

Share Document