Electronic structure and magnetic studies of V-doped ZnO: ab initio and experimental investigations

Bulletin of Materials Science

J JUDITH VIJAYA^2¹  A EL KENZ^1²  N MAMOUNI^1³  A BENYOUSSEF^1⁴ 

[1] Catalysis and Nanomaterials Research Laboratory, Department of Chemistry, Loyola College, Chennai 600 034, India^2;Department of Physics, College of Science, University of Bahrain, PO Box 32038, Zallaq, Kingdom of Bahrain^4;LMPHE, Faculty of Sciences, Mohammed V University of Rabat, Rabat, Morocco^1;Nanotechnology Centre, University of Bahrain, PO Box 32038, Zallaq, Kingdom of Bahrain^3

关键词: Ab-initio calculation;    band structure model;    DMS;    RKKY;    ZnO. 1. Introduction Mn-doped GaAs discovery with a ferromagnetic (FM) behaviour [1] has driven increasing interest in diluted ferromagnetic semiconductors (DMSs). Although III–V based DMSs such as GaAs:Mn have been successfully achieved;    their low magnetic ordering temperatures (1;   

DOI  :  

学科分类：材料工程

来源: Indian Academy of Sciences

【 摘 要 】

In this study, the electronic structure of V-doped ZnO system is studied by means of density functional theory. Different concentrations of V and rising of Fermi level increase the relative occupation of majority/minority spin of 3d stateand also induce strong spin-splitting. The existence of three different states of V spin moment has been confirmed and is found to be concentration dependent. We found that O p-orbitals are responsible for the origin of the magnetic moment.Ruderman–Kittel–Kasuya–Yosida mechanism and the atomic spin polarization of V are the key factors for the appearance of ferromagnetism in V-doped ZnO system. The synthesized nanoparticles exhibit hexagonal wurtzite crystal structure, where both crystallite size and lattice parameters vary with V content. Magnetic measurements at room temperature confirm the ferromagnetic behaviour of V-doped ZnO system.

【 授权许可】

CC BY