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Electronic signature of the vacancy ordering in NbO (Nb 3 O 3)
Efimenko A.K.a, Hollmann N.a, Hoefer K.a, Weinen J.a, Takegami D.a, Wolff K.K.a, Altendorf S.G.a, Hu Z.a, Rata A.D.a, Komarek A.C.a, Nugroho A.A.b, Liao Y.F.c, Tsuei K.-D.c, Hsieh H.H.d, Lin H.-J.c, Chen C.T.c, Tjeng L.H.a, Kasinathan D.a
a Max Planck Institute for Chemical Physics of Solids, Dresden, 01187, Germany
b Insitiut Teknologi Bandung, Bandung, 40132, Indonesia
c National Synchrotron Radiation Research Center (NSRRC), Hsinchu, 30076, Taiwan
d Chung Cheng Institute of Technology, National Defense University, Taoyuan, 335, Taiwan
[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 American Physical Society.We investigated the electronic structure of the vacancy-ordered 4d-transition-metal monoxide NbO(Nb3O3) using angle-integrated soft- and hard-x-ray photoelectron spectroscopies as well as ultraviolet angle-resolved photoelectron spectroscopy. We found that density-functional-based band-structure calculations can describe the spectral features accurately provided that self-interaction effects are taken into account. In the angle-resolved spectra we were able to identify the so-called ‘vacancy’ band that characterizes the ordering of the vacancies. This together with the band-structure results indicate the important role of the very large inter-Nb-4d hybridization for the formation of the ordered vacancies and the high thermal stability of the ordered structure of niobium monoxide.[/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]We thank A. A. Tsirlin for fruitful discussions and T. Mende for skillful technical assistance. D.K. gratefully acknowledges financial support from the DFG (deutsche forschungsgemeinschaft) through Project No. FOR 1346.[/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/10.1103/PhysRevB.96.195112[/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]