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Title: Energy levels scheme simulation of divalent cobalt doped bismuth germanate

Abstract

The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of doped BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.

Authors:
 [1];  [2];  [1];  [3]
  1. Department of Physics, West University of Timisoara, Bd. V. Parvan 4,300223 Timisoara (Romania)
  2. Shumen University “Konstantin Preslavsky”, 115 Universitetska street, 9712 Shumen (Bulgaria)
  3. (Romania)
Publication Date:
OSTI Identifier:
22494350
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1694; Journal Issue: 1; Conference: TIM14 physics conference on physics without frontiers, Timisoara (Romania), 20-22 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 74 ATOMIC AND MOLECULAR PHYSICS; ANIONS; BISMUTH GERMANATES; BONDING; CATIONS; CHARGE EXCHANGE; CHROMIUM IONS; COBALT; COBALT IONS; COMPARATIVE EVALUATIONS; COVALENCE; CRYSTAL FIELD; CRYSTALS; DOPED MATERIALS; ENERGY LEVELS; GEOMETRY; HAMILTONIANS; IMPURITIES; MATRICES; OXYGEN; SIMULATION

Citation Formats

Andreici, Emiliana-Laura, E-mail: andreicilaura@yahoo.com, Petkova, Petya, Avram, Nicolae M., and Academy of Romanian Scientists, Independentei 54, 050094-Bucharest. Energy levels scheme simulation of divalent cobalt doped bismuth germanate. United States: N. p., 2015. Web. doi:10.1063/1.4937251.
Andreici, Emiliana-Laura, E-mail: andreicilaura@yahoo.com, Petkova, Petya, Avram, Nicolae M., & Academy of Romanian Scientists, Independentei 54, 050094-Bucharest. Energy levels scheme simulation of divalent cobalt doped bismuth germanate. United States. doi:10.1063/1.4937251.
Andreici, Emiliana-Laura, E-mail: andreicilaura@yahoo.com, Petkova, Petya, Avram, Nicolae M., and Academy of Romanian Scientists, Independentei 54, 050094-Bucharest. Mon . "Energy levels scheme simulation of divalent cobalt doped bismuth germanate". United States. doi:10.1063/1.4937251.
@article{osti_22494350,
title = {Energy levels scheme simulation of divalent cobalt doped bismuth germanate},
author = {Andreici, Emiliana-Laura, E-mail: andreicilaura@yahoo.com and Petkova, Petya and Avram, Nicolae M. and Academy of Romanian Scientists, Independentei 54, 050094-Bucharest},
abstractNote = {The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of doped BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.},
doi = {10.1063/1.4937251},
journal = {AIP Conference Proceedings},
number = 1,
volume = 1694,
place = {United States},
year = {Mon Dec 07 00:00:00 EST 2015},
month = {Mon Dec 07 00:00:00 EST 2015}
}