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Chin. Phys. B, 2009, Vol. 18(5): 1961-1967    DOI: 10.1088/1674-1056/18/5/039
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

4fN-15d energy levels of lanthanides: a quasi-angular-momentum approach and its application to Cs2NaYF6:Er3+

Ma Chong-Geng(马崇庚)a), Jiang Sha(江莎)a), Duan Chang-Kui(段昌奎)a)†, Yin Min(尹民)b), and Xia Shang-Da(夏上达)a)b)
a Institute of Modern Physics, Chongqing University of Post and Telecommunications, Chongqing 400065, China; b Department of Physics and Hefei National Laboratory for Physical Science at Microscale, University of Science and Technology of China, Hefei 230026, China
Abstract  The spin--orbit interaction of the 5d electron needs to be taken into account to give the proper energy structure for the 4fN-15d configuration of heavy lanthanide ions occupying a site with ligands forming an octahedron. This paper derives theoretical results for the energy structure by treating the t2 orbitals as quasi p orbitals and then using angular-momentum coupling techniques. An analytic expression for the electric dipole absorption line strengths between 4fN multiplets and 4fN-15d states is given in terms of various angular-momentum quantum numbers and re-coupling coefficients. The result is then applied to interpret the excitation spectrum of Cs2NaYF6:Er3+. The high-spin and low-spin states of Cs2NaYF6:Er3+ are discussed in terms of the wavefunctions obtained by using the developed theoretical model.
Keywords:  f--d transition      octahedral site      spin--orbit interaction      coupling of angular momenta  
Received:  12 October 2008      Revised:  06 November 2008      Accepted manuscript online: 
PACS:  71.70.Ej (Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect)  
  71.70.Ch (Crystal and ligand fields)  
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos 10874173 and 10774140).

Cite this article: 

Ma Chong-Geng(马崇庚), Jiang Sha(江莎), Duan Chang-Kui(段昌奎), Yin Min(尹民), and Xia Shang-Da(夏上达) 4fN-15d energy levels of lanthanides: a quasi-angular-momentum approach and its application to Cs2NaYF6:Er3+ 2009 Chin. Phys. B 18 1961

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