Theoretical Studies of Optical Spectra and EPR Parameters for V4+Impurity Ions in CoMTH

The optical spectra and EPR parameters (g factors g||, g⊥ and hyperfine structure parameters A||,A⊥ of 147Sm and 149Sm) of Sm3+ in CaWO4 crystal are calculated from the second-order perturbationformulas of EPR parameters for a 4f5 ion in tetragonal symmetry. In these formulas, the Jmixingamong the 6HJ (J = 5/2, 7/2 and 9/2) states via crystal-field interactions, the mixtures amongthe states with the same J value via spin-orbit coupling interaction and the interactions between thelowest Kramers doublet Γ γ and the same irreducible representations in the other 11 Kramers doubletsΓx via the crystal-field and orbital angular momentum (or hyperfine structure) are considered.The theoretical results agree reasonably with the observed values.

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Theoretical studies on the optical spectra and EPR parameters for trigonal Yb3+ center in CsCdBr3 crystal

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.05.018 ◽

2005 ◽

Vol 61 (4) ◽

pp. 637-639 ◽

Cited By ~ 3

Author(s):

Hui-Ning Dong ◽

Shao-Yi Wu ◽

Xiao-Bing Luo ◽

Hong Tang

Keyword(s):

Optical Spectra ◽

Theoretical Studies ◽

Epr Parameters

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Theoretical Studies of the Optical Spectra and EPR Parameters of Trigonal Yb3+ Center in KMgF3 and KZnF3 Crystals

Zeitschrift für Naturforschung A ◽

10.1515/zna-2005-11-1211 ◽

2005 ◽

Vol 60 (11-12) ◽

pp. 827-830

Author(s):

Hui-Ning Dong ◽

Shao-Yi Wu ◽

Xue-Mei Cai ◽

Wei-Dong Chen

Keyword(s):

Field Theory ◽

Crystal Field ◽

Optical Spectra ◽

Theoretical Studies ◽

Crystal Field Theory ◽

Epr Parameters

The optical spectra and EPR parameters of trigonal Yb3+ centers in KMgF3 and KZnF3 crystals are calculated in a unified way, based on the crystal-field theory. The results agree reasonably with the observed values. The results are discussed.

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Optical Spectra of Cr3+Impurity Ions in Ferroelectric LiNbO3and LiTaO3

The Journal of Chemical Physics ◽

10.1063/1.1671234 ◽

1969 ◽

Vol 50 (4) ◽

pp. 1501-1510 ◽

Cited By ~ 149

Author(s):

A. M. Glass

Keyword(s):

Optical Spectra ◽

Impurity Ions

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Ab initio analysis of the optical spectra and EPR parameters of Ni2+ ions in CaF2 and CdF2 crystals

Journal of Luminescence ◽

10.1016/j.jlumin.2019.116577 ◽

2019 ◽

Vol 214 ◽

pp. 116577 ◽

Cited By ~ 1

Author(s):

Emiliana-Laura Andreici Eftimie ◽

Calin N. Avram ◽

Mikhail G. Brik ◽

Vladimir A. Chernyshev ◽

Nicolae M. Avram

Keyword(s):

Ab Initio ◽

Optical Spectra ◽

Epr Parameters

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Theoretical studies on the EPR parameters of the interstitial V4+in rutile

Radiation Effects and Defects in Solids ◽

10.1080/10420150600879864 ◽

2006 ◽

Vol 161 (10) ◽

pp. 571-577 ◽

Cited By ~ 6

Author(s):

Ji-Zi Lin ◽

Shao-Yi Wu ◽

Qiang Fu ◽

Hua-Ming Zhang

Keyword(s):

Theoretical Studies ◽

Epr Parameters

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Theoretical Studies of the g Factors for Co2+ in MgO and CaO Crystals

Zeitschrift für Naturforschung A ◽

10.1515/zna-2001-0303 ◽

2001 ◽

Vol 56 (3-4) ◽

pp. 249-252 ◽

Cited By ~ 3

Author(s):

Shao-Yi Wu ◽

Wen-Chen Zheng

Keyword(s):

Configuration Interaction ◽

Optical Spectra ◽

Theoretical Studies ◽

Cluster Approach ◽

Experimental Values ◽

Good Agreement ◽

G Factors

Abstract This paper presents a cluster approach to the calculation of the g factors for 3d7 ions in cubic oc tahedral crystals, in which the parameters related to the configuration interaction and the covalency reduction effects are obtained from optical spectra of the studied crystals, and so no adjustable parameters are applied. From the approach, the g factors for MgO:Co2+ and CaO:Co2+ are calculated. The calculated results show good agreement with the observed values. The experimental values of g 4.333 for CaO:Co2+ are also explained.

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