Measurement and ab initio Investigation of Structural, Electronic, Optical, and Mechanical Properties of Sputtered Aluminum Nitride Thin Films
We report our results on highly textured aluminum nitride (AlN) thin films deposited on glass substrates, oriented along the c-axis, using DC-magnetron sputtering technique for different values of back pressure. The structural, electronic, optical, piezoelectric, dielectric, and elastic properties o...
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Frontiers Media S.A.
2020-05-01
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| Online Access: | https://www.frontiersin.org/article/10.3389/fphy.2020.00115/full |
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| author | A. M. Alsaad Qais M. Al-Bataineh I. A. Qattan Ahmad A. Ahmad A. Ababneh A. Ababneh Zaid Albataineh Ihsan A. Aljarrah Ahmad Telfah |
| author_facet | A. M. Alsaad Qais M. Al-Bataineh I. A. Qattan Ahmad A. Ahmad A. Ababneh A. Ababneh Zaid Albataineh Ihsan A. Aljarrah Ahmad Telfah |
| author_sort | A. M. Alsaad |
| collection | DOAJ |
| description | We report our results on highly textured aluminum nitride (AlN) thin films deposited on glass substrates, oriented along the c-axis, using DC-magnetron sputtering technique for different values of back pressure. The structural, electronic, optical, piezoelectric, dielectric, and elastic properties of sputtered AlN thin films are measured and characterized. In particular, X-ray powder diffraction (XRD) technique shows that AlN thin films exhibit a hexagonal structure. Moreover, we employed ab initio simulations of AlN using the Vienna Ab Initio Simulation Package (VASP) to investigate the structural and the electronic properties of hexagonal AlN structures. The experimental lattice parameters of the as-prepared thin films agree well with those calculated using the total energy minimization approach. The optical parameters of AlN thin films, such as transmittance and refractive index, were measured using UV–vis measurements. Our measurements of refractive index, n, of AlN thin films yield a value of 2.2. Furthermore, the elastic, piezoelectric, and dielectric tensors of AlN crystal are calculated using VASP. The dynamical Born effective charge tensor is reported for all atoms in the unit cell of AlN. Interestingly, ab initio simulations indicate that AlN has a static dielectric constant approximately equal to 4.68, which is in good agreement with the reported experimental value. In addition, the clamped-ion piezoelectric tensor is calculated. The diagonal components of the piezoelectric tensor are found to be e33=1.79 C/m2 and e31=-0.80 C/m2. The large values of the piezoelectric coefficients show that a polar AlN crystal exhibits a strong microwave piezoelectric effect. Additionally, the components of the elastic moduli tensor are calculated. The extraordinary electronic, optical, piezoelectric, and elastic properties make AlN thin films potential candidates for several optoelectronic, elastic, dielectric, and piezoelectric applications. |
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| language | English |
| last_indexed | 2024-12-12T21:32:49Z |
| publishDate | 2020-05-01 |
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| spelling | doaj.art-b15c9ef8d0114d04b75c96ac3352344b2022-12-22T00:11:17ZengFrontiers Media S.A.Frontiers in Physics2296-424X2020-05-01810.3389/fphy.2020.00115525610Measurement and ab initio Investigation of Structural, Electronic, Optical, and Mechanical Properties of Sputtered Aluminum Nitride Thin FilmsA. M. Alsaad0Qais M. Al-Bataineh1I. A. Qattan2Ahmad A. Ahmad3A. Ababneh4A. Ababneh5Zaid Albataineh6Ihsan A. Aljarrah7Ahmad Telfah8Department of Physical Sciences, Jordan University of Science and Technology, Irbid, JordanDepartment of Physical Sciences, Jordan University of Science and Technology, Irbid, JordanDepartment of Physics, Khalifa University of Science and Technology, Abu Dhabi, United Arab EmiratesDepartment of Physical Sciences, Jordan University of Science and Technology, Irbid, JordanDepartment of Electronic Engineering, Yarmouk University, Irbid, JordanDepartment of Micromechanics, Microfluidics/Micro Actuators, Faculty of Natural Sciences and Technology, Saarland University, Saarbrücken, GermanyDepartment of Electronic Engineering, Yarmouk University, Irbid, JordanDepartment of Physical Sciences, Jordan University of Science and Technology, Irbid, JordanLeibniz Institut für Analytische Wissenschaften (ISAS), Dortmund, GermanyWe report our results on highly textured aluminum nitride (AlN) thin films deposited on glass substrates, oriented along the c-axis, using DC-magnetron sputtering technique for different values of back pressure. The structural, electronic, optical, piezoelectric, dielectric, and elastic properties of sputtered AlN thin films are measured and characterized. In particular, X-ray powder diffraction (XRD) technique shows that AlN thin films exhibit a hexagonal structure. Moreover, we employed ab initio simulations of AlN using the Vienna Ab Initio Simulation Package (VASP) to investigate the structural and the electronic properties of hexagonal AlN structures. The experimental lattice parameters of the as-prepared thin films agree well with those calculated using the total energy minimization approach. The optical parameters of AlN thin films, such as transmittance and refractive index, were measured using UV–vis measurements. Our measurements of refractive index, n, of AlN thin films yield a value of 2.2. Furthermore, the elastic, piezoelectric, and dielectric tensors of AlN crystal are calculated using VASP. The dynamical Born effective charge tensor is reported for all atoms in the unit cell of AlN. Interestingly, ab initio simulations indicate that AlN has a static dielectric constant approximately equal to 4.68, which is in good agreement with the reported experimental value. In addition, the clamped-ion piezoelectric tensor is calculated. The diagonal components of the piezoelectric tensor are found to be e33=1.79 C/m2 and e31=-0.80 C/m2. The large values of the piezoelectric coefficients show that a polar AlN crystal exhibits a strong microwave piezoelectric effect. Additionally, the components of the elastic moduli tensor are calculated. The extraordinary electronic, optical, piezoelectric, and elastic properties make AlN thin films potential candidates for several optoelectronic, elastic, dielectric, and piezoelectric applications.https://www.frontiersin.org/article/10.3389/fphy.2020.00115/fullAlN thin filmsopticalelectronicmechanicalphysical tensorshybrid functional HSE06 |
| spellingShingle | A. M. Alsaad Qais M. Al-Bataineh I. A. Qattan Ahmad A. Ahmad A. Ababneh A. Ababneh Zaid Albataineh Ihsan A. Aljarrah Ahmad Telfah Measurement and ab initio Investigation of Structural, Electronic, Optical, and Mechanical Properties of Sputtered Aluminum Nitride Thin Films Frontiers in Physics AlN thin films optical electronic mechanical physical tensors hybrid functional HSE06 |
| title | Measurement and ab initio Investigation of Structural, Electronic, Optical, and Mechanical Properties of Sputtered Aluminum Nitride Thin Films |
| title_full | Measurement and ab initio Investigation of Structural, Electronic, Optical, and Mechanical Properties of Sputtered Aluminum Nitride Thin Films |
| title_fullStr | Measurement and ab initio Investigation of Structural, Electronic, Optical, and Mechanical Properties of Sputtered Aluminum Nitride Thin Films |
| title_full_unstemmed | Measurement and ab initio Investigation of Structural, Electronic, Optical, and Mechanical Properties of Sputtered Aluminum Nitride Thin Films |
| title_short | Measurement and ab initio Investigation of Structural, Electronic, Optical, and Mechanical Properties of Sputtered Aluminum Nitride Thin Films |
| title_sort | measurement and ab initio investigation of structural electronic optical and mechanical properties of sputtered aluminum nitride thin films |
| topic | AlN thin films optical electronic mechanical physical tensors hybrid functional HSE06 |
| url | https://www.frontiersin.org/article/10.3389/fphy.2020.00115/full |
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