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Ver términos de la licenciaBharati, M., et al. (2025). Local structure modeling of iron doped triglycine sulphate single crystals. Revista Mexicana de Física; Vol. 71 Núm. 1 Jan-Feb, 2025. Recuperado de https://repositorio.unam.mx/contenidos/4161173
Autor(es)
Bharati, M.; Singh, V.; Kripal, Ram
Tipo
Artículo de Investigación
Área del conocimiento
Físico Matemáticas y Ciencias de la Tierra
Título
Local structure modeling of iron doped triglycine sulphate single crystals
Fecha
2025-01-01
Resumen
Zero field splitting parameters of iron doped triglycine sulphate single crystals are evaluated with the help of superposition model and the perturbation theory. These parameters are in reasonable agreement with the experimental values taking local distortion into account. The theoretical result supports the experimental observation that iron occupies interstitial position in triglycine sulphate crystal. Using crystal field analysis program with crystal field parameters from superposition model as input, the optical spectra of the system are computed. A reasonable match between the computed and experimental energy values is obtained. Thus the theoretical investigation supports the experimental conclusion. The present modeling approach may be useful in other ion-host systems to explore crystals for technological and industrial applications.
Tema
Organic compounds; single crystal; crystal fields; electron paramagnetic resonance; zero field splitting
Idioma
eng
ISSN
ISSN electrónico: 2683-2224; ISSN impreso: 0035-001X
