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Electronic and Thermoelectric Properties of Layered Oxychalcogenides (BiO)Cu Ch (Ch = S, Se, Te)
Muhammady S.a, Kurniawan Y.a, Ishiwata S.b, Rousuli A.c, Nagasaki T.c, Nakamura S.c, Sato H.c, Higashiya A.d, Yamasaki A.e, Hara Y.f, Rusydi A.g, Takase K.b, Darma Y.a
a Department of Physics, Faculty of Mathematics and Natural Science, Institut Teknologi Bandung, Bandung, 40132, Indonesia
b College of Sciences and Technology, Nihon University, Chiyoda, Tokyo, 101-0062, Japan
c Graduate School of Science, Hiroshima University, Higashi-Hiroshima, 739-8526, Japan
d Faculty of Science and Engineering, Setsunan University, Neyagawa, Osaka, 572-8508, Japan
e Faculty of Science and Engineering, Konan University, Kobe, 658-8501, Japan
f National Institute of Technology, Ibaraki College, Ibaraki, 312-8508, Japan
g NUSNNI-NanoCore, Department of Physics, National University of Singapore, 117411, Singapore
[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]Copyright © 2018 American Chemical Society.We study the new details of electronic and thermoelectric properties of polycrystalline layered oxychalcogenide systems of (BiO)CuCh (Ch = Se, Te) prepared by using a solid-state reaction. The systems were characterized by using photoemission (PE) spectroscopy and four-probe temperature-dependent electrical resistivity ρ(T). PE spectra are explained by calculating the electronic properties using the generalized-gradient approximation method. PE spectra and ρ(T) show that (BiO)CuSe system is a semiconductor, while (BiO)CuTe system exhibits the metallic behavior that induces the high thermoelectric performance. The calculation of electronic properties of (BiO)CuCh (Ch = S, Se, Te) confirms that the metallic behavior of (BiO)CuTe system is mainly induced by Te 5p states at Fermi energy level, while the indirect bandgaps of 0.68 and 0.40 eV are obtained for (BiO)CuS and (BiO)CuSe systems, respectively. It is also shown that the local symmetry distortion at Cu site strongly stimulates Cu 3d-t2g to be partially hybridized with Ch p orbitals. This study presents the essential properties of the inorganic systems for novel functional device applications.[/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][/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]This work is supported by Ministry of Research, Technology, and Higher Education of Republic of Indonesia through Penelitian Dasar Unggulan Perguruan Tinggi (PDUPT) program 2018 (532w/l1.C01/PL/2018), Hibah Kompetensi Kemenristekdikti 2018, P3MI research program 2018 (1275G/ l1.C01/PL/2018), and Riset KK ITB 2018 (324f/l1.C01/PL/ 2018). S.M. thanks to WCU 2018 Postdoctoral program at Institut Teknologi Bandung. The PE spectroscopy with synchrotron X-ray was performed at HiSOR (Hiroshima University) under proposal No. 2016BU006. The authors also acknowledge Advanced Computing Laboratory, Department of Physics, Institut Teknologi Bandung, Indonesia for providing technical support and calculation facilities.[/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/10.1021/acs.inorgchem.8b01396[/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]