First-principles study on Boron-doped MgF2−xBx (x=0.0 and 1.0) and F defected MgF1 for anti-reflective coatings in spectacle lenses
MgF2 is ideal for anti-reflective or optical systems with light polarization. Because, it has low reflection loss, wide bandgap, high transmission efficiency. Boron is biocompatible and high strength but low density. It can be used to improve the physical properties of the MgF2. Therefore, we have p...
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| Format: | Article |
| Language: | English |
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Elsevier
2023-08-01
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| Series: | Results in Surfaces and Interfaces |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666845923000314 |
| _version_ | 1797682775651778560 |
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| author | F. Kaya Soykan C. Soykan |
| author_facet | F. Kaya Soykan C. Soykan |
| author_sort | F. Kaya Soykan |
| collection | DOAJ |
| description | MgF2 is ideal for anti-reflective or optical systems with light polarization. Because, it has low reflection loss, wide bandgap, high transmission efficiency. Boron is biocompatible and high strength but low density. It can be used to improve the physical properties of the MgF2. Therefore, we have performed first-principles calculations using density functional theory (DFT) to determine the structural, mechanical, electronic, and optical properties of Boron-doped MgF1B1 and F-defected MgF1 structures by modified of MgF2 for spectacle lenses. It was determined that the elasticity and flexibility of the MgF1B1 phase increased compared to MgF2. In the MgF1 phase, the Poisson’s υ ratio is larger than the other phases, so the plasticity of it is high. In addition, it is the most ductile phase since it has the lowest Pugh’s (G/B) ratio of 0.264. It has moderate absorption in the 400–450 nm range. It can be used as an efficient absorber for HEV-light radiations. The light transmittance of the MgF1B1 phase was found to be low in the lower and upper regions of visible light and high in the middle region. It is suitable for UV filtration. For the first time, the physical, electronic, and optical properties of these phases, are reported. |
| first_indexed | 2024-03-12T00:04:48Z |
| format | Article |
| id | doaj.art-101312a7b0d2435a984aad6431fec24e |
| institution | Directory Open Access Journal |
| issn | 2666-8459 |
| language | English |
| last_indexed | 2024-03-12T00:04:48Z |
| publishDate | 2023-08-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Surfaces and Interfaces |
| spelling | doaj.art-101312a7b0d2435a984aad6431fec24e2023-09-17T04:57:47ZengElsevierResults in Surfaces and Interfaces2666-84592023-08-0112100126First-principles study on Boron-doped MgF2−xBx (x=0.0 and 1.0) and F defected MgF1 for anti-reflective coatings in spectacle lensesF. Kaya Soykan0C. Soykan1Department of Physics, Pamukkale University, Denizli, Turkey; Corresponding author.Vocational School of Health Services, Ahi Evran University, Kırşehir, TurkeyMgF2 is ideal for anti-reflective or optical systems with light polarization. Because, it has low reflection loss, wide bandgap, high transmission efficiency. Boron is biocompatible and high strength but low density. It can be used to improve the physical properties of the MgF2. Therefore, we have performed first-principles calculations using density functional theory (DFT) to determine the structural, mechanical, electronic, and optical properties of Boron-doped MgF1B1 and F-defected MgF1 structures by modified of MgF2 for spectacle lenses. It was determined that the elasticity and flexibility of the MgF1B1 phase increased compared to MgF2. In the MgF1 phase, the Poisson’s υ ratio is larger than the other phases, so the plasticity of it is high. In addition, it is the most ductile phase since it has the lowest Pugh’s (G/B) ratio of 0.264. It has moderate absorption in the 400–450 nm range. It can be used as an efficient absorber for HEV-light radiations. The light transmittance of the MgF1B1 phase was found to be low in the lower and upper regions of visible light and high in the middle region. It is suitable for UV filtration. For the first time, the physical, electronic, and optical properties of these phases, are reported.http://www.sciencedirect.com/science/article/pii/S2666845923000314Boron substituted magnesium fluorideAbsorptionReflectivityDielectric functionLoss function |
| spellingShingle | F. Kaya Soykan C. Soykan First-principles study on Boron-doped MgF2−xBx (x=0.0 and 1.0) and F defected MgF1 for anti-reflective coatings in spectacle lenses Results in Surfaces and Interfaces Boron substituted magnesium fluoride Absorption Reflectivity Dielectric function Loss function |
| title | First-principles study on Boron-doped MgF2−xBx (x=0.0 and 1.0) and F defected MgF1 for anti-reflective coatings in spectacle lenses |
| title_full | First-principles study on Boron-doped MgF2−xBx (x=0.0 and 1.0) and F defected MgF1 for anti-reflective coatings in spectacle lenses |
| title_fullStr | First-principles study on Boron-doped MgF2−xBx (x=0.0 and 1.0) and F defected MgF1 for anti-reflective coatings in spectacle lenses |
| title_full_unstemmed | First-principles study on Boron-doped MgF2−xBx (x=0.0 and 1.0) and F defected MgF1 for anti-reflective coatings in spectacle lenses |
| title_short | First-principles study on Boron-doped MgF2−xBx (x=0.0 and 1.0) and F defected MgF1 for anti-reflective coatings in spectacle lenses |
| title_sort | first principles study on boron doped mgf2 xbx x 0 0 and 1 0 and f defected mgf1 for anti reflective coatings in spectacle lenses |
| topic | Boron substituted magnesium fluoride Absorption Reflectivity Dielectric function Loss function |
| url | http://www.sciencedirect.com/science/article/pii/S2666845923000314 |
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