Journal
NANOMATERIALS
Volume 11, Issue 12, Pages -Publisher
MDPI
DOI: 10.3390/nano11123289
Keywords
precipitation; crystal structure; X-ray diffraction; scanning electron microscopy; optical spectroscopies; computer simulations
Categories
Funding
- Generalitat Valenciana [PROMETEO 2018/123-EFIMAT]
- Spanish Ministerio de Ciencia, Universidades, e Investigacion [PID2019-106383GB-41]
- MALTA Consolider Team research network [RED2018-102612-T]
- Algerian Ministry of Higher Education and Scientific Research [B00L01UN030120220002]
- 2015-2020 French Contrat de Plan Etat-Region (project E-TIME)
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This study reports the non-hydrothermal synthesis and characterization of nanocrystalline lithium aluminum iodate, LiAl(IO3)(4). Morphological and compositional analyses were conducted, along with studies on the optical and vibrational properties. The material was found to be promising for optoelectronic and non-linear optical applications, with a unique crystal structure and high Second Harmonic Generation response.
Here we report on the non-hydrothermal aqueous synthesis and characterization of nanocrystalline lithium aluminum iodate, LiAl(IO3)(4). Morphological and compositional analyses were carried out by using scanning electron microscopy (SEM) and energy-dispersive X-ray measurements (EDX). The optical and vibrational properties of LiAl(IO3)(4) have been studied by UV-Vis and IR spectroscopy. LiAl(IO3)(4) is found to crystallize in the non-centrosymmetric, monoclinic P2(1) space group, contrary to what was reported previously. Theoretical simulations and Rietveld refinements of crystal structure support this finding, together with the relatively high Second Harmonic Generation (SGH) response that was observed. Electronic band structure calculations show that LiAl(IO3)(4) crystal has an indirect band gap E-gap=3.68 eV, in agreement with the experimental optical band gap E-gap=3.433 eV. The complex relative permittivity and the refraction index of LiAl(IO3)(4) have also been calculated as a function of energy, as well as its elastic constants and mechanical parameters. LiAl(IO3)(4) is found to be a very compressible and ductile material. Our findings imply that LiAl(IO3)(4) is a promising material for optoelectronic and non -linear optical applications.
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