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The Improved Point‐Ion Potentials for the F + ‐Centers in LiNbO 3 and LiTaO 3
Author(s) -
Ho Fat Duen
Publication year - 1984
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.2221220139
Subject(s) - lithium tantalate , ion , crystal (programming language) , lithium niobate , lithium (medication) , atomic physics , crystallographic defect , tantalate , lattice (music) , chemistry , physics , condensed matter physics , ferroelectricity , optics , quantum mechanics , computer science , dielectric , acoustics , programming language , medicine , endocrinology
The validity of the point‐ion potentials is very essential and even critical for the study of the F + ‐centers in lithium niobate and lithium tantalate. Earlier calculations are based on the assembly of 810 ions of the crystal‐lattices. In order to address to this important subject in much greater detail new potentials are developed by including 3750 ions instead of 810 ions. It is found that the 3750 point‐ion potentials are almost in accord with those of 810 point‐ions for each crystal. This is also true for the resulting values of the transition energies. Thus the convergence of the lattice sums is further demonstrated, and the validity of 810 point‐ion potentials is more convincingly shown.