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Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
Rahman M.M.a, Muhida R.b, Chowdhury M.S.H.c, Setiyanto H.d, Zainuddin H.a, Zakaria A.B.a, Kasai H.e
a Faculty of Science, Department of Physics, Universiti Putra Malaysia, Malaysia
b Department of Physics, Surya College of Education (STKIP Surya), Gedung SURE, Indonesia
c Department of Science in Engineering, International Islamic University Malaysia, Malaysia
d Analytical Chemistry Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Indonesia
e Department of Precision Science and Technology and Applied Physics, Osaka University, Japan
[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]We investigate the formation and magnetic properties of benzene-vanadium multiple-decked sandwich chain on Au(111) surface using first principles calculations based on density functional theory. We show that in the formation of the chain on the surface, each of the two hydrogen atoms of benzene bonds with only one gold atom, while the carbon and vanadium atoms do not contribute to bonding. We find that this system has no magnetic moment where two vanadium atoms are antiferromagnetically arranged, for which we suggest a superexchange interaction mechanism. Copyright © 2012 American Scientific Publishers.[/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]Antiferromagnetic orders,Au(111) surfaces,First-principles calculation,Gold atoms,Gold surfaces,Hydrogen atoms,Superexchange interaction,Theoretical investigations[/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]Antiferromagnetic Order,Benzene-Vanadium Multiple-Decked Sandwich Chain,Density Functional Theory[/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/10.1166/jctn.2012.2143[/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]