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Structural Characterization and computational approach to doped hafnium oxide nano crystals for thermo and photoluminescence applications

Published online by Cambridge University Press:  08 September 2017

Radamés R. M. ,
Alejandro V. Z.  and
M. Romero
Radamés R. M.*
Affiliation:
Instituto de Investigaciones en Materiales, UNAM, Av. Universidad 3000, Circuito Exterior S/N, Delegación Coyoacán, C.P.04510Ciudad Universitaria, Ciudad de México Facultad de Ciencias, UNAM, Av. Universidad 3000, Copilco, 04510Ciudad de México, México
Alejandro V. Z.
Affiliation:
Instituto de Investigaciones en Materiales, UNAM, Av. Universidad 3000, Circuito Exterior S/N, Delegación Coyoacán, C.P.04510Ciudad Universitaria, Ciudad de México
M. Romero
Affiliation:
Facultad de Ciencias, UNAM, Av. Universidad 3000, Copilco, 04510Ciudad de México, México
*
*(Email: [email protected])
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Abstract

Doped hafnium oxide (X-HfO2, X= Eu, Tb, Dy) thin films were deposited by experimental ultrasonic spray pyrolysis process. Doped Hf nano crystal (nc-X-Hf) embebed in the HfO2 matrix were obtained. The process was made at substrate temperature between 300 °C and 550 °C, showing at this higher temperature the monoclinic phase, which improve the dopants incorporation. Computational simulations were made to analyze molecular dynamics in advance to improve physical and chemical properties. Energy relaxation, and charge distribution behaviour demonstrated an atomic re-arranged to form the nano clusters of 5nm to 10 nm diameter. Vibrational modes were calculated. Photoluminescence (PL) spectra were obtained, as dopant function. Atomic Force Microscopy (AFM), X-ray diffraction and High Resolution Transmission Electron Microscopy (HRTEM) characterizations were made. Characteristics bright peaks appear in the Thermoluminescence (TL) spectra, and PL peak emission as well, of the Eu, Tb, Dy dopants in the HfO2 matrix. The results obtained show that nanocrystal structures embebed in a metal oxide matrix of HfO2 could be a prominent material to be used in radiation dosimetry, technological development, and radiological protection.

Keywords

NanostructureSpray pyrolysisOptoelectronic
Type
Articles
Information
MRS Advances , Volume 2 , Issue 49: International Materials Research Congress XXV , 2017 , pp. 2793 - 2798
Copyright
Copyright © Materials Research Society 2017 

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