Repositorio UFRO · Omeka S

Theoretical and experimental study for compost based on Zircon ZrSiO4

Primer Autor	Aguilar Aguirre, C
Co-autores	Diaz, P. Polo, A. S. Mosquera Laroze, D. Barba-Ortega, J.
Título	Theoretical and experimental study for compost based on Zircon ZrSiO4
Editorial	SPRINGER HEIDELBERG
Revista	APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
Lenguaje	en
Resumen	In the present work, we will study the properties of ZrSiO4 based on Zircon. We will concentrate on the basic electronic properties [Bands (BS), Density of states (e-DOS) and Density of phonons (p-DOS)], which will be studied using the p-DFT (perturbative Density Functional Theory) through the extension of the pseudo-potential method. Given this, the experimental Raman spectra of the studied system of the structure will be presented for different samples studied of three (3) different groups of one hundred (100) samples of ZrSiO4, taken from nature subjected to different external conditions (temperature, pressure, etc). We will study the main experimental wave-number (K) under these characteristics (Zr, Si and O), and they will be compared with the ab-initio study, that will generate concordance between the theoretical and experimental studies.
Fecha Publicación	2023
Tipo de Recurso	artículo original
doi	10.1007/s00339-023-07004-2
Formato Recurso	PDF
Palabras Claves	Zircon (ZrSiO4) Raman spectra Bands Structure p-DFT e-DOS
Ubicación del archivo	http://dx.doi.org/10.1007/s00339-023-07004-2
Categoría OCDE	Ciencia de Materiales Física
Materias	Circón (ZrSiO4) espectros raman Estructura de Bandas p-DFT e-DOS
Versión del recurso (Recomendado-único)	versión publicada
Tipo de ruta	hibrida verde
Access Rights	restringido
Derechos de acceso	restringido
Id de Web of Science	WOS:001110410800003
Identificador del recurso (Mandatado-único)	artículo original
ISSN	0947-8396
Categoría WOS	Ciencia de Materiales Física