Theoretical studies of the spin-Hamiltonian

parameters for the orthorhombic Pr⁴⁺ centers

in Sr₂CeO₄ crystals

WEN-LIN FENG

Department of Applied Physics, Chongqing Institute of Technology,

Chongqing 400050, People Republic of China

E-mail: wenlinfeng@126.com

Abstract. Theoretical studies of spin-Hamiltonian (SH) parameters

associated with Pr$^{4+}$ in Sr$_{2}$CeO$_{4}$ single crystals have

been made by using the complete diagonalizing energy matrix method

(CDM) for the $4f^{1}$ electronic configuration. The calculated

results are in excellent agreement with the experimental data. The

negative signs of the anisotropic $g_{i}$-factors and hyperfine

structure constants $A_{i}$ (where $i=||$ or $\bot$ ) for the

orthorhombic Pr$^{4+}$ ion in Sr$_{2}$CeO$_{4}$ are suggested from

the calculations. By comparing the results obtained by the CDM with

the experimental data, one finds it is valid to interpret the SH

parameters for $4f^{1}$ ions in crystals. The results are

discussed.

Keywords. Crystal-field theory; spin-Hamiltonian parameters;

Pr$^{4+}$; Sr$_{2}$CeO$_{4}$.

PACS Nos 71.70.Ch; 76.30.-v; 76.30.Kg