Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties
For the first time, sol-gel spin coating was used to fabricate thin films of NiO doped with lutetium. The films were characterized to determine their crystalline structure, surface morphology, and optical properties as a function of Lu doping concentration. The investigations revealed that the Lu-do...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-04-01
|
| Series: | Heliyon |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844023020819 |
| _version_ | 1797837002250387456 |
|---|---|
| author | Souraya Goumri-Said Güven Turgut Mohammed Benali Kanoun |
| author_facet | Souraya Goumri-Said Güven Turgut Mohammed Benali Kanoun |
| author_sort | Souraya Goumri-Said |
| collection | DOAJ |
| description | For the first time, sol-gel spin coating was used to fabricate thin films of NiO doped with lutetium. The films were characterized to determine their crystalline structure, surface morphology, and optical properties as a function of Lu doping concentration. The investigations revealed that the Lu-doped NiO films consisted of nano-polycrystalline particles with a cubic bunsenite structure and (200) preferential orientation. Optical studies indicated that the optical band gap of pure NiO widened with low levels of Lu incorporation before narrowing with higher concentrations. The Urbach energy value for pure NiO initially decreased with 1 at. % Lu-content, from 224 meV to 190 meV, and then continuously increased to 380 meV with more Lu-level. To investigate the effects of Lu doping on the electronics, magnetic, and optical properties of NiO, first-principle computations were performed. The results showed that bulk magnetization underwent significant modifications due to a high hybridization between the Lu-f/d and Ni-d states. This study suggests that NiO doped with lutetium could be used for spin-polarized transport devices and other spin-dependent applications. |
| first_indexed | 2024-04-09T15:18:58Z |
| format | Article |
| id | doaj.art-19720ce6db3e4c5c8e355354325dfbef |
| institution | Directory Open Access Journal |
| issn | 2405-8440 |
| language | English |
| last_indexed | 2024-04-09T15:18:58Z |
| publishDate | 2023-04-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Heliyon |
| spelling | doaj.art-19720ce6db3e4c5c8e355354325dfbef2023-04-29T14:51:24ZengElsevierHeliyon2405-84402023-04-0194e14874Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic propertiesSouraya Goumri-Said0Güven Turgut1Mohammed Benali Kanoun2Physics Department, Colleges of Science and General Studies, P.O.BOX 50927, Alfaisal University, Riyadh, 11533, Saudi Arabia; Corresponding author.Erzurum Technical University, Department of Basic Sciences Physics, 25240, Erzurum, Turkey; Erzurum Technical University, 2D Material Research Group, YUTAM, 25240, Erzurum, Turkey; Corresponding author. Erzurum Technical University, Department of Basic Sciences Physics, 25240, Erzurum, Turkey.Department of Mathematics and Sciences, College of Humanities and Sciences, Prince Sultan University, P.O. Box 66833, Riyadh 11586, Saudi Arabia; Corresponding author.For the first time, sol-gel spin coating was used to fabricate thin films of NiO doped with lutetium. The films were characterized to determine their crystalline structure, surface morphology, and optical properties as a function of Lu doping concentration. The investigations revealed that the Lu-doped NiO films consisted of nano-polycrystalline particles with a cubic bunsenite structure and (200) preferential orientation. Optical studies indicated that the optical band gap of pure NiO widened with low levels of Lu incorporation before narrowing with higher concentrations. The Urbach energy value for pure NiO initially decreased with 1 at. % Lu-content, from 224 meV to 190 meV, and then continuously increased to 380 meV with more Lu-level. To investigate the effects of Lu doping on the electronics, magnetic, and optical properties of NiO, first-principle computations were performed. The results showed that bulk magnetization underwent significant modifications due to a high hybridization between the Lu-f/d and Ni-d states. This study suggests that NiO doped with lutetium could be used for spin-polarized transport devices and other spin-dependent applications.http://www.sciencedirect.com/science/article/pii/S2405844023020819NiOSpin coatingLu-dopingElectronic structureDFT+U |
| spellingShingle | Souraya Goumri-Said Güven Turgut Mohammed Benali Kanoun Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties Heliyon NiO Spin coating Lu-doping Electronic structure DFT+U |
| title | Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties |
| title_full | Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties |
| title_fullStr | Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties |
| title_full_unstemmed | Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties |
| title_short | Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties |
| title_sort | lu doping nickel oxide thin films using sol gel spin coated and density functional theory optoelectronic and magnetic properties |
| topic | NiO Spin coating Lu-doping Electronic structure DFT+U |
| url | http://www.sciencedirect.com/science/article/pii/S2405844023020819 |
| work_keys_str_mv | AT sourayagoumrisaid ludopingnickeloxidethinfilmsusingsolgelspincoatedanddensityfunctionaltheoryoptoelectronicandmagneticproperties AT guventurgut ludopingnickeloxidethinfilmsusingsolgelspincoatedanddensityfunctionaltheoryoptoelectronicandmagneticproperties AT mohammedbenalikanoun ludopingnickeloxidethinfilmsusingsolgelspincoatedanddensityfunctionaltheoryoptoelectronicandmagneticproperties |