Effect of temperature on electronic structure of silicon using a large unit cell within intermediate neglect of differential overlap (INDO)
Author
Source
Journal of Babylon University : Journal of Applied and Pure Sciences
Issue
Vol. 18, Issue 4 (31 Dec. 2010)8 p.
Publisher
Publication Date
2010-12-31
Country of Publication
Iraq
No. of Pages
8
Main Subjects
Topics
Abstract AR
خلية وحدة كبيرة (LUC) بثمان ذرات ضمن الإهمال المتوسط للتداخل التفاضلي (INDO) استعملت لدراسة بعض خصائص السليكون ذو الشبيكة المكعبة بالتركيب الماسي و لدراسة تأثير الحرارة على هذه الخصائص.
طاقة الترابط و فجوة الطاقة المباشرة و عرض حزمتي التكافؤ والتوصيل وتهجين المدارات وعامل تشكيل الأشعة السينية تم الحصول عليها من حسابات التركيب الحزمي.
جميع الخواص المذكورة أعلاه قد تم الحصول عليها باختيار مجموعة معلمات تجريبية لأنموذج وحدة الخلية الكبيرة للإهمال المتوسط للتداخل التفاضلي, فجوة الطاقة المباشرة و عرض حزمة التكافؤ تتناقص مع زيادة درجة الحرارة بينما يتزايد عرض حزمة التوصيل.
Abstract EN
A large unit cell (LUC) formalism of eight atoms within intermediate neglect of differential overlap (CNDO) is used to study some properties of Silicon crystal and to investigate the effect of temperature on these properties due to the changes in coulomb energies.
Cohesive energy, direct band gap, valance band width, conduction band width and hybridized orbitals of the crystal are obtained from the band structure calculations.
X-ray scattering factor are also calculated.
The energy gap and valance band decrease with increase of temperature, this cause increasing in conduction band width.
All the aforementioned properties are obtained by selecting empirical parameter sets for LUC-INDO model.
American Psychological Association (APA)
Mardan, Muhammad G.. 2010. Effect of temperature on electronic structure of silicon using a large unit cell within intermediate neglect of differential overlap (INDO). Journal of Babylon University : Journal of Applied and Pure Sciences،Vol. 18, no. 4.
https://search.emarefa.net/detail/BIM-287213
Modern Language Association (MLA)
Mardan, Muhammad G.. Effect of temperature on electronic structure of silicon using a large unit cell within intermediate neglect of differential overlap (INDO). Journal of Babylon University : Journal of Applied and Pure Sciences Vol. 18, no. 4 (2010).
https://search.emarefa.net/detail/BIM-287213
American Medical Association (AMA)
Mardan, Muhammad G.. Effect of temperature on electronic structure of silicon using a large unit cell within intermediate neglect of differential overlap (INDO). Journal of Babylon University : Journal of Applied and Pure Sciences. 2010. Vol. 18, no. 4.
https://search.emarefa.net/detail/BIM-287213
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references.
Record ID
BIM-287213