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The Investigation of Electronic Structure of Transition Metal Doped TiO2 for Diluted Magnetic Semiconductor Applications: A First Principle Study
Fajariah N.a, Prabowo W.A.E.b,c, Fathurrahman F.b, Melati A.a, Dipojono H.K.b
a Department of Physics, Faculty of Science and Technology, Sunan Kalijaga State Islamic University, Yogyakarta, 55281, Indonesia
b Department of Engineering Physics, Faculty of Industrial Technology, Bandung Institute of Technology, Bandung, 40132, Indonesia
c Department of Computer Science, Faculty of Computer Science, Dian Nuswantoro University, Semarang, 50131, Indonesia
[vc_row][vc_column][vc_row_inner][vc_column_inner][vc_separator css=”.vc_custom_1624529070653{padding-top: 30px !important;padding-bottom: 30px !important;}”][/vc_column_inner][/vc_row_inner][vc_row_inner layout=”boxed”][vc_column_inner width=”3/4″ css=”.vc_custom_1624695412187{border-right-width: 1px !important;border-right-color: #dddddd !important;border-right-style: solid !important;border-radius: 1px !important;}”][vc_empty_space][megatron_heading title=”Abstract” size=”size-sm” text_align=”text-left”][vc_column_text]© 2017 The Authors.Although titanium dioxide (TiO2) is a non-magnetic semiconductor material nevertheless it can be transformed into a magnetic semiconductor material, i.e. diluted magnetic semiconductor (DMS), by adding impurities which have magnetic properties. Transition metals are good candidate impurities to be added to TiO2 to form a DMS. This paper reports our investigations on the trends of electronic structure and magnetic properties of TiO2 based DMS with transition metals impurities (Sc, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) by using density functional theory (DFT). TiO2-Fe and TiO2-Mn have big magnetic moment, with the values are about 4.21 Bohr Mag/cell and 3.48 Bohr Mag/cell, respectively. However, based on density of states, TiO2-Sc and TiO2-Ni have no change the magnetic characteristic of pure TiO2. Based on the magnetic and semiconductor properties, the candidates for DMS are TiO2-V, TiO2-Cr,TiO2-Mn, TiO2-Fe, and TiO2-Co system.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Author keywords” size=”size-sm” text_align=”text-left”][vc_column_text]Co systems,Density of state,First-principle study,Magnetic characteristic,Semiconductor properties,Titanium dioxides (TiO2)[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Indexed keywords” size=”size-sm” text_align=”text-left”][vc_column_text]density functional theory,diluted magnetic semiconductor,electronic properties,magnetic properties,TiO2,transition metal[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Funding details” size=”size-sm” text_align=”text-left”][vc_column_text][/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”DOI” size=”size-sm” text_align=”text-left”][vc_column_text]https://doi.org/10.1016/j.proeng.2017.03.032[/vc_column_text][/vc_column_inner][vc_column_inner width=”1/4″][vc_column_text]Widget Plumx[/vc_column_text][/vc_column_inner][/vc_row_inner][/vc_column][/vc_row][vc_row][vc_column][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][/vc_column][/vc_row]