Structural and optical properties of carbon contaminated HfO2 : first principle study

المؤلف

al-Hamdani, Raid Abbas Salih

المصدر

University of Thi-Qar Journal

العدد

المجلد 12، العدد 1 (31 مارس/آذار 2017)، ص ص. 96-110، 15ص.

الناشر

جامعة ذي قار قسم البحث و التطوير

تاريخ النشر

2017-03-31

دولة النشر

العراق

عدد الصفحات

15

التخصصات الرئيسية

الفيزياء

الموضوعات

الملخص EN

The role of substitution carbon defect on the structural properties and dielectric constant of monoclinic hafnium dioxide was investigated by adopting density functional theory calculations.

Local vibration modes for various doping mechanisms of carbon have also included in the calculations.

Results show that carbon substitution for oxygen is more energetically favorable than substitution for hafnium.

Additionally, carbon has an anisotropic and divergent impact upon the dielectric constant based upon hosted site.

For oxygen site, the dielectric constant achieves 4.709, whereas it decreases to 4.128 for the case of both hafnium sites.

Calculated vibrational frequencies (836.09, 862.39 and 1507.64 and 1508.55) provide valuable information toward verifying the existence of carbon in m-HfO2

نمط استشهاد جمعية علماء النفس الأمريكية (APA)

al-Hamdani, Raid Abbas Salih. 2017. Structural and optical properties of carbon contaminated HfO2 : first principle study. University of Thi-Qar Journal،Vol. 12, no. 1, pp.96-110.
https://search.emarefa.net/detail/BIM-787788

نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)

al-Hamdani, Raid Abbas Salih. Structural and optical properties of carbon contaminated HfO2 : first principle study. University of Thi-Qar Journal Vol. 12, no. 1 (Mar. 2017), pp.96-110.
https://search.emarefa.net/detail/BIM-787788

نمط استشهاد الجمعية الطبية الأمريكية (AMA)

al-Hamdani, Raid Abbas Salih. Structural and optical properties of carbon contaminated HfO2 : first principle study. University of Thi-Qar Journal. 2017. Vol. 12, no. 1, pp.96-110.
https://search.emarefa.net/detail/BIM-787788

نوع البيانات

مقالات

لغة النص

الإنجليزية

الملاحظات

Includes appendices : p. 106-110

رقم السجل

BIM-787788