A unified calculation of the optical spectral band positions and electron paramagnetic resonance spectral data for Yb3+ in InP semiconductor
Highlights
► We found a energy matrix of 4f13 ion in cubic crystals and external magnetic field. ► Optical and EPR data of Yb3+: InP are explained by diagonalizing the energy matrix. ► Signs of hyperfine structure constants A(171Yb3+) and A(173Yb3+) are determined.
Introduction
Semiconductors doped with rare earth ions have attracted considerable attention because of the possible applications to new optical devices [1], [2], [3], [4]. Among the possible combinations of rare earth ions and semiconductor hosts, the Yb3+-doped InP is one of the most widely studied materials owing to its strong Yb3+-related luminescence at about 1 μm [5], [6]. The optical spectra [6] and electron paramagnetic resonance (EPR) spectra [7], [8] for Yb3+ at cubic In3+ site of InP were measured. Five crystal-field energy levels (or four optical spectrum band positions) and three spin-Hamiltonian parameters [g factor and hyperfine structure constants A(171Yb3+) and A(173Yb3+)] were given from the measurements [6], [7], [8]. These spectroscopic data have not been explained in a unified way. In this paper, we calculate these spectroscopic data by using a complete diagonalization (of energy matrix) method for 4f13 ion in cubic crystal field and under an external magnetic field. Differing from the traditional diagonalization method used in the study of optical spectra, in the present diagonalization method, the Hamiltonian concerning the energy matrix also includes the Zeeman and hyperfine interaction terms and so the optical spectrum band positions and spin-Hamiltonian parameters can be calculated together. The results are discussed.
Section snippets
Calculation
The electronic configuration of Yb3+ is 4f13. It has a ground state 2F7/2 and an excited state 2F5/2. When Yb3+ ion occupies the cubic In3+ site in InP semiconductor crystal, the cubic crystal field splits the 2F7/2 into three components Γ7 + Γ8 + Γ6 and the 2F5/2 into two components Γ7 + Γ8 [6], [9]. In the conventional diagonalization method used in the study of crystal-field energy levels, the Hamiltonian contains only the free-ion term Hf (including the spin–orbit interaction term H = ζL·S, where ζ
Discussion and conclusion
The sign of hyperfine structure constant A for a transition-metal or rare earth ion in crystals is hardly determined only by EPR experiments [9], [13], [14]. So although the hyperfine structure constant A obtained by EPR experiments for these ions in many crystals (also including the studied crystal InP:Yb3+) are written as the position values, they are actually the absolute values. In fact, the sign of hyperfine structure constant A is related to the sign of dipolar hyperfine structure
Acknowledgement
Project supported by the National Science Foundation for Post-doctoral Scientists of China (Grant No. 20100470811).
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