A study for CNDO efficiency for band structure calculations of IV-covalent materials : (Sn, Ge, Si and C)
Joint Authors
Source
Journal of Babylon University : Journal of Applied and Pure Sciences
Issue
Vol. 18, Issue 3 (30 Sep. 2010)8 p.
Publisher
Publication Date
2010-09-30
Country of Publication
Iraq
No. of Pages
8
Main Subjects
Chemistry
Electronic engineering
Topics
Abstract AR
ثابت الشبيكة، طاقة الربط، فجوة الطاقة المباشرة و عرض حزمة التكافؤ تم حسابها لمادة القصدير الرمادي بواسطة طريقة (CNDO-LUC)، كما تم مقارنة القيم مع النتائج العملية و النظرية لباحثين آخرين قاموا باستعمال نفس الطريقة و للمواد (C، Si، Ge و Sn) ذات التركيب الماسي و ذلك لمعرفة كفاءة هذه الطريقة.
و أظهرت النتائج أنها جيدة في حساب ثابت الشبيكة إلا أنها فاشلة في حساب بقية الخواص كلها بنفس الوقت.
Abstract EN
Lattice constant, cohesive energy, direct band gap and valence band width had been calculated for grey tin by using (CNDO-LUC) method, then we had been making a comparison with experimental and other workers results for ( C, Si, Ge and Sn ) with zinc-blende structure in order to study the efficiency of this method.
The results had showed that this method is good for lattice constant and bad for other properties all at the same time.
American Psychological Association (APA)
Mijbil, Z. Y.& Merdan, M. G.. 2010. A study for CNDO efficiency for band structure calculations of IV-covalent materials : (Sn, Ge, Si and C). Journal of Babylon University : Journal of Applied and Pure Sciences،Vol. 18, no. 3.
https://search.emarefa.net/detail/BIM-287417
Modern Language Association (MLA)
Mijbil, Z. Y.& Merdan, M. G.. A study for CNDO efficiency for band structure calculations of IV-covalent materials : (Sn, Ge, Si and C). Journal of Babylon University : Journal of Applied and Pure Sciences Vol. 18, no. 3 (2010 ).
https://search.emarefa.net/detail/BIM-287417
American Medical Association (AMA)
Mijbil, Z. Y.& Merdan, M. G.. A study for CNDO efficiency for band structure calculations of IV-covalent materials : (Sn, Ge, Si and C). Journal of Babylon University : Journal of Applied and Pure Sciences. 2010. Vol. 18, no. 3.
https://search.emarefa.net/detail/BIM-287417
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references.
Record ID
BIM-287417
