First Principles Study of Electronic and Optical Properties of Cadmium-Tin-Oxide
Cadmium-tin-oxide (CTO), also referred to as cadmium stannate (Cd<sub>2</sub>SnO<sub>4</sub>), is known for its interesting electrical, electronic, and optical properties, making it useful in various applications such as in transparent conducting oxides for optoelectronic dev...
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MDPI AG
2025-01-01
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| author | Adel Bandar Alruqi |
| author_facet | Adel Bandar Alruqi |
| author_sort | Adel Bandar Alruqi |
| collection | DOAJ |
| description | Cadmium-tin-oxide (CTO), also referred to as cadmium stannate (Cd<sub>2</sub>SnO<sub>4</sub>), is known for its interesting electrical, electronic, and optical properties, making it useful in various applications such as in transparent conducting oxides for optoelectronic devices and also in photovoltaic applications. While its properties have been investigated experimentally, there is not much record in the literature on the computational study of the electronic and optical properties of CTO. This study employed density functional theory to explore the two properties of CTO. The hybrid functionals were used to widen the band gap from 0.381 eV (for PBE) to 3.13 eV, which replicates the experimental values very well. The other properties obtained were a refractive index of 2.53, absorption coefficient of 1.43 × 10<sup>4</sup> cm<sup>−1</sup>, and dielectric constant of 6.401 eV. The optical energy loss of 0.00691 that was investigated for the first time in this work adds to the literature on the properties of CTO. However, the electrical properties of CTO, which also play a key role in the working of optoelectronic devices, need to be investigated. |
| format | Article |
| id | doaj-art-7467b721e9744c2c8ae61a96d2e205b1 |
| institution | Kabale University |
| issn | 2304-6740 |
| language | English |
| publishDate | 2025-01-01 |
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| series | Inorganics |
| spelling | doaj-art-7467b721e9744c2c8ae61a96d2e205b12025-01-24T13:35:29ZengMDPI AGInorganics2304-67402025-01-011311410.3390/inorganics13010014First Principles Study of Electronic and Optical Properties of Cadmium-Tin-OxideAdel Bandar Alruqi0Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi ArabiaCadmium-tin-oxide (CTO), also referred to as cadmium stannate (Cd<sub>2</sub>SnO<sub>4</sub>), is known for its interesting electrical, electronic, and optical properties, making it useful in various applications such as in transparent conducting oxides for optoelectronic devices and also in photovoltaic applications. While its properties have been investigated experimentally, there is not much record in the literature on the computational study of the electronic and optical properties of CTO. This study employed density functional theory to explore the two properties of CTO. The hybrid functionals were used to widen the band gap from 0.381 eV (for PBE) to 3.13 eV, which replicates the experimental values very well. The other properties obtained were a refractive index of 2.53, absorption coefficient of 1.43 × 10<sup>4</sup> cm<sup>−1</sup>, and dielectric constant of 6.401 eV. The optical energy loss of 0.00691 that was investigated for the first time in this work adds to the literature on the properties of CTO. However, the electrical properties of CTO, which also play a key role in the working of optoelectronic devices, need to be investigated.https://www.mdpi.com/2304-6740/13/1/14cadmium stannateabsorption coefficient of cadmium-tin-oxideband gap of cadmium-tin-oxidedielectric constant of cadmium-tin-oxiderefractive index of cadmium-tin-oxideband structure of cadmium-tin-oxide |
| spellingShingle | Adel Bandar Alruqi First Principles Study of Electronic and Optical Properties of Cadmium-Tin-Oxide Inorganics cadmium stannate absorption coefficient of cadmium-tin-oxide band gap of cadmium-tin-oxide dielectric constant of cadmium-tin-oxide refractive index of cadmium-tin-oxide band structure of cadmium-tin-oxide |
| title | First Principles Study of Electronic and Optical Properties of Cadmium-Tin-Oxide |
| title_full | First Principles Study of Electronic and Optical Properties of Cadmium-Tin-Oxide |
| title_fullStr | First Principles Study of Electronic and Optical Properties of Cadmium-Tin-Oxide |
| title_full_unstemmed | First Principles Study of Electronic and Optical Properties of Cadmium-Tin-Oxide |
| title_short | First Principles Study of Electronic and Optical Properties of Cadmium-Tin-Oxide |
| title_sort | first principles study of electronic and optical properties of cadmium tin oxide |
| topic | cadmium stannate absorption coefficient of cadmium-tin-oxide band gap of cadmium-tin-oxide dielectric constant of cadmium-tin-oxide refractive index of cadmium-tin-oxide band structure of cadmium-tin-oxide |
| url | https://www.mdpi.com/2304-6740/13/1/14 |
| work_keys_str_mv | AT adelbandaralruqi firstprinciplesstudyofelectronicandopticalpropertiesofcadmiumtinoxide |