Evidence for structural transition in crystalline tantalum pentoxide films grown by RF magnetron sputtering

Abstract: We investigate the effect of annealing temperature on the crystalline structure and physical properties of tantalum-pentoxide films grown by radio frequency magnetron sputtering. For this purpose, several tantalum films were deposited and the Ta$_2$O$_5$ crystalline phase was induced by exposing the samples to heat treatments in air in the temperature range from (575 to 1000)$^\circ$C. Coating characterization was performed using X-ray diffraction, scanning electron microscopy, Raman spectroscopy and UV-VIS spectroscopy. By X-ray diffraction analysis we found that a hexagonal Ta$_2$O$_5$ phase generates at temperatures above $675^\circ$C. As the annealing temperature raises, we observe peak sharpening and new peaks in the corresponding diffraction patterns indicating a possible structural transition from hexagonal to orthorhombic. The microstructure of the films starts with flake-like structures formed on the surface and evolves, as the temperature is further increased, to round grains. We found out that, according to the features exhibited in the corresponding spectra, Raman spectroscopy can be sensitive enough to discriminate between the orthorhombic and hexagonal phases of Ta$_2$O$_5$. Finally, as the films crystallize the magnitude of the optical band gap increases from 2.4 eV to the typical reported value of 3.8 eV.