Crystal field analysis of energy level structure of LiAlO2:V3+ and LiGaO2:V3+.
A detailed analysis of the energy level structure of tetrahedrally coordinated V(3+) ion in lithium aluminum oxide LiAlO(2) (gamma-phase) and lithium dioxogallate LiGaO(2) is performed using the exchange charge model of the crystal field theory. The parameters of the crystal field acting on the V(3+) optical electrons are calculated from crystal structure data assuming C(1) point symmetry of the [VO(4)](5-) impurity center in LiAlO(2) and LiGaO(2). Crystal field splitting of all five LS terms of the V(3+) ion ((3)F, (3)P, (1)S, (1)D, (1)G) is calculated. The energy levels obtained are compared with experimental absorption spectra and results of application of other crystal field models (the angular overlap model and Racah theory) to the considered crystals; though only one fitting parameter of the exchange charge model was used, a good agreement with experimental data on the ground and excited state absorption is demonstrated.
Brik
M G
MG
Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano, Kyoto 606-8103, Japan. brik@fukui.kyoto-u.ac.jp
Avram
N M
NM
Avram
C N
CN
D000537:Aluminum Oxide / Q000737:chemistry*; D003460:Crystallization; D018360:Crystallography, X-Ray; D004583:Electrons; D007477:Ions; D008094:Lithium / Q000737:chemistry*; D018020:Lithium Compounds / Q000737:chemistry*; D008958:Models, Molecular; D015233:Models, Statistical; D013053:Spectrophotometry; D014639:Vanadium / Q000737:chemistry*
D007477:Ions; D018020:Lithium Compounds; D014639:Vanadium; D008094:Lithium; D000537:Aluminum Oxide