First Principles Research on the Magnetic Properties of Na and Cl doped ZnO
Mauludi Ariesto Pamungkas1, Setiawan Ade Putra2, Irwansyah3, Heru Harsono4
1Mauludi Ariesto Pamungkas, Department of Physics, Jurusan Fisika Universitas Brawijaya, Malang, Indonesia.
2Setiawan Ade Putra, Department of Physics, Jurusan Fisika Universitas Brawijaya, Malang, Indonesia.
3Irwansyah, Department of Physics, Jurusan Fisika Universitas Brawijaya, Malang, Indonesia.
4Heru Harsono, Department of Physics, Jurusan Fisika Universitas Brawijaya, Malang, Indonesia.
Manuscript received on 10 January 2020 | Revised Manuscript received on 06 February 2020 | Manuscript Published on 20 February 2020 | PP: 182-185 | Volume-9 Issue-3S January 2020 | Retrieval Number: C10400193S20/2020©BEIESP | DOI: 10.35940/ijitee.C1040.0193S20
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© The Authors. Blue Eyes Intelligence Engineering and Sciences Publication (BEIESP). This is an open-access article under the CC-BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/)
Abstract: ZnO is considered as a wide bandgap material because it has a 3.4 eV direct bandgap. This wide bandgap characteristic causes good transparency, high electron mobility and luminescence at room temperature.The unique and tuneable properties of nanostructured ZnO shows excellent stability in chemically as well as thermally stable n-type semiconducting material with wide applications such as in luminescent material, supercapacitors, battery and solar cells. To be applied to a variety of needs, price control bandgap is needed. Likewise, control over the magnetic nature. Therefore we need a study related to bandgap modification, one of them is by giving impurity atoms. Atom Na and Cl were chosen as representatives of donors and acceptors. Atomistic calculations use the Functional Density Theory method which is implemented in ABINIT software. Relaxation and convergence research results are used to find the most stable energy value of ZnO.. The results showed Magnetic Properties in ZnO doping Na obtained magnetization values of 1.4802 𝜇𝐵 greater than pure ZnO that is 0.9394 𝜇𝐵 while ZnO doping Cl obtained magnetization values of 0.8593 𝜇𝐵 smaller than pure ZnO. In conclusion the ZnO doping magnetic properties of Na increase magnetization and Cl doping also change the magnetic properties by decreasing ZnO magnetization.
Keywords: First Principle, ZnO, Na, Cl, Magnetic.
Scope of the Article: Bio-Science and Bio-Technology