QC406 : Investigation of electronic and magnetic properties of transition mextals doped AlN nanosheets for the application in spintronic devices
Thesis > Central Library of Shahrood University > Physics > MSc > 2018
Authors:
Mehrzad Beiranvand [Author], Tayebeh Movlarooy[Supervisor], Fatemeh Badieian Baghsiyahi [Advisor]
Abstarct: In this study, the electron and magnetic properties of pure AlN nanosheets and doped with transition mextals (Cu, Fe, Co, Mn, V, Cr, Ni, Ti), is studied using the spin polarized density function theory (DFT) and the generalized gradient approximation (GGA) by SIESTA Computational code. Calculations are done on the armchair (4.4) and zigzag (6,0) nanosheets. The pure zigzag and armchairs nanosheets have a band gap of 3.36 and 3.38 eV, respectively. After the doping with the transition mextals, variations of the band gap for both nanosheets are very small. At first, the electron and magnetic properties of pure and doped nanosheets have been studied and then the more stable state of the doped structure is investigated. The results of electronic computational describe semiconductor properties of this nanosheets. Electron structures shows that the pure zigzag and armchair nanosheets have a direct band gap and in both nanosheets by increasing the number of impurity atoms the value of band gap have been decreased. The symmetry of density of states describe nonmagnetic properties of pure nanosheets. The spin polarized density of states shows that the doped AlN nanosheet with Cr, Fe, and Co in the ferromagnetic phase are dilute magnetic semiconductor independent of the number and location of the doping and doping with Cu is nonmagnetic mextal. However, nanosheets doped with Ti, V, Mn and Ni depending on the number and position of the doping, maybe half mextal or diluted magnetic semiconductor. In the antiferromagnetic phase, the doped nanosheets are nonmagnetic mextals or nonmagnetic semiconductors. Doped nanosheets with Ti, V, Mn and Ni, which have a semi-mextallic property, have a good application in spintronic industry, and in particular the spin filtering devices. The stable magnetic phase of the (4.4) AlN nanosheet doped with Mn and Ni atoms was obtained ferromagnetic and for doping with Co and Fe, antiferromagnetic independent of the impurity site, while the doping of this nanosheet with Cr, Cu, V, Ti depending on the location of the impurity, the stable magnetic phase would be AFM or FM. In the (6.0) zigzag AlN nanosheet also the stable magnetic phase was obtained ferromagnetic for doping with Cr, Mn, Cu atoms independently of the impurity site and for the Co and V atoms, antiferromagnetic while the stable phase of the doped nanosheets with Ti, Fe and Ni depending on the impurity location would be FM or AFM. The total magnetic moment created in the structure from Ti to Fe is increased and the maximum value is given by Fe doping, and then decreases with increasing atomic number of Fe to Cu. In both zigzag and armchair nanosheets doped with transition mextals the highest partial magnetic moment is related to the Mn impurity. The results of this study can be useful for the future empirical studies on diluted magnetic semiconductors. According to the results of this research and the flexibility of the AlN nanosheets in the presence of doping and ferromagnetic properties, AlN nanosheets doped with transition mextals are suitable candidates for use in spin polarized electron source for the spintronic devices in the future.
Keywords:
#AlN nanosheets #magnetic properties #density function theory #SIESTA #diluted magnetic semiconductor (DMS) #spintronic Link
Keeping place: Central Library of Shahrood University
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