Eur. Phys. J. Appl. Phys.
Volume 92, Number 1, October 2020
Advanced Materials for Energy Harvesting, Storage, Sensing and Environmental Engineering (ICOME 2019)
|Number of page(s)||10|
|Published online||14 October 2020|
Substrate temperature effect on structural, electronic and optical properties of V2O5 thin films: experimental and ab initio study★
Research Team in Thin Films and Nanomaterials (ERCMN), Faculty of Science and Technology, Abdelmalek Essadi University, Tangier, Morocco
2 Laboratory of Materials Physics & Subatomics, Department of Physics, Faculty of Science, Ibn Tofail University, BP. 242, 14000 Kenitra, Morocco
3 Laboratory of Condensed Matter and Interdisciplinary Sciences (LaMCScI), Université Mohammed V, Rabat, Morocco
* e-mail: email@example.com
Received in final form: 21 July 2020
Accepted: 2 September 2020
Published online: 14 October 2020
Optical, structural and electronic properties of vanadium pentoxide (V2O5) thin films deposited with different values of substrate temperature have been investigated. First principles calculations were performed using the Full Potential Projector-Augmented Wave (PAW) method with the Generalized Gradient Approximation (GGA) implemented in Quantum Espresso code. The results are very promising and show that the temperature has an important effect on V2O5 thin films features. Dielectric functions for different thin films are calculated for 14-atom orthorhombic super-cell structure. The calculated band gaps are fitted with a linear equation: (αhv) 2 = A (hv − Eg) . For all types of deposited thin films the position of critical points (CPs) E0, E1 and E2 show good agreement with the experimental data.
© EDP Sciences, 2020
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