In:
Optical Materials Express, Optica Publishing Group, Vol. 11, No. 11 ( 2021-11-01), p. 3870-
Abstract:
The modification of chemical composition to improve desired material parameters is an effective method in materials science and engineering. In this work, Ca 1-x Sr x F 2 solid solution is chosen as the subject. Nd 3+ and Y 3+ ions are used as dopants. We have found that spectral properties of Nd 3+ :Ca 1-x Sr x F 2 and Nd 3+ ,Y 3+ :Ca 1-x Sr x F 2 crystals vary nonlinearly with the ‘ x ’. The X-ray diffraction (XRD) patterns and the density functional theory (DFT) calculations on Ca 1-x Sr x F 2 solid solutions have ruled out the influence of matrix crystals on spectral properties. The rare-earth monomer centers of C 4v or C 3v symmetry, and the high order clusters are modeled. The calculated results show, that thermodynamic stabilities of the centers vary nonlinearly. Temperature-dependent dielectric losses and the results of projected density of states (pDOS) calculations also show nonlinear dependency. The nonlinearly evolved local structures from cubic to square antiprism sublattice cause the nonlinear variation of spectral properties. The methodology of rare-earth induced nonlinear structural evolutions is then proposed, which is useful for exploring new materials.
Type of Medium:
Online Resource
ISSN:
2159-3930
Language:
English
Publisher:
Optica Publishing Group
Publication Date:
2021
detail.hit.zdb_id:
2619914-2
Permalink