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Article: 4f-5d transitions of Pr3+ in elpasolite lattices

Title4f-5d transitions of Pr3+ in elpasolite lattices
Authors
KeywordsPhysics
Issue Date2003
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B - Condensed Matter And Materials Physics, 2003, v. 67 n. 11, p. 1151021-11510219 How to Cite?
AbstractThe 4f5d→4f2 emission spectra of Cs2MPrCl6 (M = Na,Li) and CS2NaYCl6:Pr3+ have been recorded at temperatures down to 10 K. The spectra of Pr3+ in the cubic host Cs2NaYCl6 are the most clearly resolved, and 15 transitions to terminal crystal field levels of symmetry representations Γ5g and Γ4g have been observed and assigned, thereby inferring that the symmetry representation of the lowest 4f5d crystal field level is Γ3u. Each transition is characterized by strong progressions in two totally symmetric vibrational modes. The relative displacement of the potential energy curves for the 4f2 and 4f5d crystal field levels, along the α1g internal mode coordinate, is small, being only about 5 pm. The 10-K ultraviolet absorption spectra of CS2NaYCl6:Pr3+ are assigned to transitions from the [3H4] Γ1g electronic ground state to terminal Γ4u crystal field levels of 4f5d. Nontotally symmetric gerade vibrational modes only provide minor intensity contributions. The large energy gap between the d-f emission and f-d absorption spectra of Pr3+ in the cubic elpasolite host is rationalized. The 8-K excitation spectra of Cs2NaPrCl6 and Cs2NaYCl6:Pr3+, excited by synchrotron radiation, show that the transitions to 4f5d fall into two groups. The energy levels and wave vectors of the (independent) 4f2 and 4f5d configurations of Pr3+ have been calculated using a model which includes spin-orbit coupling and crystal field and Coulomb interactions, as well as the configuration interaction of 4f2 with 4f6p. Using the eigenvector of the predominantly high-spin, lowest excited crystal field level of 4f5d, the emission intensities are reasonably well simulated. However, the refinement of the 4f2→4f5d absorption intensities requires a more detailed knowledge of the crystal field energy level scheme of 4f5d. The configuration interaction of 4f5d with 4f6s and 4f5g is discussed.
Persistent Identifierhttp://hdl.handle.net/10722/42635
ISSN
2001 Impact Factor: 3.07
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorTanner, PAen_HK
dc.contributor.authorMak, CSKen_HK
dc.contributor.authorFaucher, MDen_HK
dc.contributor.authorKwok, WMen_HK
dc.contributor.authorPhillips, DLen_HK
dc.contributor.authorMikhailik, Ven_HK
dc.date.accessioned2007-03-23T04:28:27Z-
dc.date.available2007-03-23T04:28:27Z-
dc.date.issued2003en_HK
dc.identifier.citationPhysical Review B - Condensed Matter And Materials Physics, 2003, v. 67 n. 11, p. 1151021-11510219en_HK
dc.identifier.issn0163-1829en_HK
dc.identifier.urihttp://hdl.handle.net/10722/42635-
dc.description.abstractThe 4f5d→4f2 emission spectra of Cs2MPrCl6 (M = Na,Li) and CS2NaYCl6:Pr3+ have been recorded at temperatures down to 10 K. The spectra of Pr3+ in the cubic host Cs2NaYCl6 are the most clearly resolved, and 15 transitions to terminal crystal field levels of symmetry representations Γ5g and Γ4g have been observed and assigned, thereby inferring that the symmetry representation of the lowest 4f5d crystal field level is Γ3u. Each transition is characterized by strong progressions in two totally symmetric vibrational modes. The relative displacement of the potential energy curves for the 4f2 and 4f5d crystal field levels, along the α1g internal mode coordinate, is small, being only about 5 pm. The 10-K ultraviolet absorption spectra of CS2NaYCl6:Pr3+ are assigned to transitions from the [3H4] Γ1g electronic ground state to terminal Γ4u crystal field levels of 4f5d. Nontotally symmetric gerade vibrational modes only provide minor intensity contributions. The large energy gap between the d-f emission and f-d absorption spectra of Pr3+ in the cubic elpasolite host is rationalized. The 8-K excitation spectra of Cs2NaPrCl6 and Cs2NaYCl6:Pr3+, excited by synchrotron radiation, show that the transitions to 4f5d fall into two groups. The energy levels and wave vectors of the (independent) 4f2 and 4f5d configurations of Pr3+ have been calculated using a model which includes spin-orbit coupling and crystal field and Coulomb interactions, as well as the configuration interaction of 4f2 with 4f6p. Using the eigenvector of the predominantly high-spin, lowest excited crystal field level of 4f5d, the emission intensities are reasonably well simulated. However, the refinement of the 4f2→4f5d absorption intensities requires a more detailed knowledge of the crystal field energy level scheme of 4f5d. The configuration interaction of 4f5d with 4f6s and 4f5g is discussed.en_HK
dc.format.extent386315 bytes-
dc.format.extent26112 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/en_HK
dc.relation.ispartofPhysical Review B - Condensed Matter and Materials Physicsen_HK
dc.rightsPhysical Review B (Condensed Matter and Materials Physics). Copyright © American Physical Society.en_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.subjectPhysicsen_HK
dc.title4f-5d transitions of Pr3+ in elpasolite latticesen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1098-0121&volume=67&issue=11&spage=115102:1&epage=19&date=2003&atitle=4f-5d+transitions+of+Pr3++in+elpasolite+latticesen_HK
dc.identifier.emailMak, CSK: cskm@hkucc.hku.hken_HK
dc.identifier.emailPhillips, DL: phillips@hku.hken_HK
dc.identifier.authorityMak, CSK=rp00761en_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1103/PhysRevB.67.115102en_HK
dc.identifier.scopuseid_2-s2.0-0038218186en_HK
dc.identifier.hkuros81016-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0038218186&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume67en_HK
dc.identifier.issue11en_HK
dc.identifier.spage1151021en_HK
dc.identifier.epage11510219en_HK
dc.identifier.isiWOS:000182035100035-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridTanner, PA=7101679850en_HK
dc.identifier.scopusauthoridMak, CSK=8899597100en_HK
dc.identifier.scopusauthoridFaucher, MD=7007068467en_HK
dc.identifier.scopusauthoridKwok, WM=7103129332en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK
dc.identifier.scopusauthoridMikhailik, V=6701363285en_HK

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