Academic Journal
Stability and electronic properties of carbon in α-Al < inf> 2 O < inf> 3
| العنوان: | Stability and electronic properties of carbon in α-Al < inf> 2 O < inf> 3 |
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| المؤلفون: | Zhu, Jiajie, Muthe, K. P., Pandey, Ravindra |
| المصدر: | Michigan Tech Publications |
| بيانات النشر: | Digital Commons @ Michigan Tech |
| سنة النشر: | 2014 |
| المجموعة: | Michigan Technological University: Digital Commons @ Michigan Tech |
| مصطلحات موضوعية: | A: Optical materials, A: Oxides, C: Ab initio calculations, D: Defects, D: Electronic structure, Keywords |
| الوصف: | The stability and electronic properties of carbon in α-Al2O3 are investigated using density functional theory. In the host lattice, the substitutional C prefers the Al site under the O-rich conditions, whereas the O site is preferred by carbon under the Al-rich conditions. The calculated results predict a direct relationship between the thermodynamic and optical transition levels with the degree of the local distortion induced by C in the alumina lattice. We also find C at the O site acts as a charge compensator to stabilize the F+ center, thereby enhancing the TL signal at 465 K. Also, C at Al site can serve as electron traps for TL emission process in α-Al2O3. © 2013 Elsevier Ltd. All rights reserved. |
| نوع الوثيقة: | text |
| اللغة: | unknown |
| Relation: | https://digitalcommons.mtu.edu/michigantech-p/6798; https://doi.org/10.1016/j.jpcs.2013.11.005 |
| DOI: | 10.1016/j.jpcs.2013.11.005 |
| الاتاحة: | https://digitalcommons.mtu.edu/michigantech-p/6798 https://doi.org/10.1016/j.jpcs.2013.11.005 |
| رقم الانضمام: | edsbas.2855B58A |
| قاعدة البيانات: | BASE |
| DOI: | 10.1016/j.jpcs.2013.11.005 |
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