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Approximate wave functions for the F + ‐centers in LiNbO 3 and LiTaO 3
Author(s) -
Ho Fat Duen
Publication year - 1983
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221150135
Subject(s) - lithium tantalate , ion , wave function , lithium niobate , tantalate , spectral line , atomic physics , lithium (medication) , physics , line (geometry) , energy (signal processing) , lattice (music) , absorption (acoustics) , optics , quantum mechanics , mathematics , ferroelectricity , medicine , endocrinology , geometry , acoustics , dielectric
The improved hydrogen‐like wave function is used as a trial wave function of the 1s‐state to calculate the energy levels of F + ‐centers in lithium niobate and lithium tantalate. The point‐ion model is employed. The Schrödinger equation is solved variationally. The transition energies agree within 6.4% and 13.4% with the observed peaks in the absorption spectra for LiNbO 3 and LiTaO 3 , respectively. In comparison with previous work along this line the results obtained here are much better in the case of LiTaO 3 , and are rather compatible in the case of LiNbO 3 . Furthermore, in order to save computer time various groups of ions out of the “lattice” of 810 ions are examinated to find the minimum numbers of ions needed to guarantee an essential physics of the systems. The advantages of using this more accurate one‐parameter wave function are discussed.