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Electronic structure and optical properties of Sr 2 SnO 4 studied with FP-LAPW method in density functional theory
Prijamboedi B.a, Umar S.a, Failamani F.a
a Inorganic and Physical Chemistry Research Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Bandung, 40132, 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]© 2015 AIP Publishing LLC. Oxide material of Sr 2 SnO 4 , when it is doped with Ti becomes a phosphor material that can emit intense blue light at room temperature. It is important to study the electronic structure of this material in order to determine the optical processes that occur in Ti-doped Sr 2 SnO 4 . Electronic structure and optical properties of Sr 2 SnO 4 is studied using density functional theory framework with full potential linearized augmented plane waves plus local orbitals (FP-LAPW+lo) method. We use modified Becke-Johnson (mBJ) exchange-correlation potential to calculate the energy gap. Our calculation showed that Sr 2 SnO 4 has indirect band gap with band gap energy of around 4.2 eV. The experimental absorption spectra of Sr 2 SnO 4 indicated that this oxide has band gap of around 4.6 eV and it is closer to the results given by mBJ exchange-correlation potential. We also studied other optical properties of Sr 2 SnO 4 and it is found in agreement with the experimental results.[/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][/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]DFT,Optical properties,Sr 2 SnO 4[/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/10.1063/1.4917090[/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]