Document Details

Document Type : Thesis 
Document Title :
Theoretical Investigation Of Mn-Doped ZnO Nanostructure
دراسة نظرية لتطعيم مركب أكسيد الزنك متناهي الصغر بعنصر المنجنيز
 
Subject : physics department 
Document Language : Arabic 
Abstract : The development of dilute magnetic semiconductors (DMS) is currently understudy for their possible use in spintronic devices. These devices are quite interesting due to the exhibition of ferromagnetic behavior of nonmagnetic materials doped with transition metals. Recent theoretical treatments predict that wide band-gap semiconductors, including ZnO, can exhibit ferromagnetic ordering when doped with transition metals. This work focuses on the possibility of using wide band-gap oxide semiconductors as potential spintronic materials. Structural, magnetic and electronic properties of undoped and Mn doped ZnO structures have been studied within the framework of the density functional theory and plane wave pseudopotential method. Ab initio calculations have been performed to investigate the structural and electronic properties of ZnO structure. In contrast to recent studies, present calculations reveal that the Zn-O bonds have a pure ionic nature and no appreciable degree of covalency has been observed. The highest occupied and lowest unoccupied states have been found to originate from the p orbitals of the Zn atoms, suggesting different approach of charge transfer between the O and Zn atoms. Detailed calculations on the fundamental structural and electronic properties of the ZnO structure have been examined and compared with the available studies. The structural, magnetic, and electronic properties of Mn-doped ZnO structure have been investigated using the spin- generalized gradient approximation (DFT–σGGA) of density functional theory. It is found that the Mn atom prefers to substitute one of the Zn atoms. Employing the Hubbard potential U within the calculations suggests various changes and modifications in the properties of the Mn-doped ZnO. The electronic band structure of the system, within the σGGA+U, is half-metallic, with metallic nature for the majority state and semiconducting nature for the minority state. The magnetic moment has also been modified and the electronic scenario of Mn–ZnO system can be explained by 3d5+ acceptor states scenario. It has been shown that Mn doped ZnO is a dilute magnetic semiconductor. 
Supervisor : Prof. Khursheed A. Siddiqui 
Thesis Type : Master Thesis 
Publishing Year : 1434 AH
2013 AD 
Added Date : Saturday, June 15, 2013 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
غادة سعيد الغامديAl Ghamdi, Ghadah SaeedResearcherMaster 

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 35646.pdf pdf 

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