On the origin of the differences in the Cu K-edge XANES of isostructural and isoelectronic compounds
Cu K-edge x-ray absorption near-edge structure (XANES) spectra of trigonal (3R) CuScO(2) and CuLaO(2) and of hexagonal (2H) CuScO(2) were investigated experimentally and theoretically, in order to study differences between spectra of isostructural and isoelectronic compounds. Significant differences...
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creator | Šipr, O Rocca, F Fornasini, P |
description | Cu K-edge x-ray absorption near-edge structure (XANES) spectra of trigonal (3R) CuScO(2) and CuLaO(2) and of hexagonal (2H) CuScO(2) were investigated experimentally and theoretically, in order to study differences between spectra of isostructural and isoelectronic compounds. Significant differences were found in the Cu K-edge XANES of 3R CuScO(2) and 3R CuLaO(2); these differences can be understood by considering the calculated polarization dependence of the XANES spectra and the differences between the phaseshifts of Sc and La. Spectra of the 3R and 2H polytypes of CuScO(2) differ only weakly and the difference originates from the long-range order. The pre-edge peak around 8980 eV is generated by the same mechanism as the pre-edge peak in Cu(2)O, i.e. involving scattering by the Cu atoms in the plane which is perpendicular to the O-Cu-O axis. |
doi_str_mv | 10.1088/0953-8984/21/25/255401 |
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Significant differences were found in the Cu K-edge XANES of 3R CuScO(2) and 3R CuLaO(2); these differences can be understood by considering the calculated polarization dependence of the XANES spectra and the differences between the phaseshifts of Sc and La. Spectra of the 3R and 2H polytypes of CuScO(2) differ only weakly and the difference originates from the long-range order. The pre-edge peak around 8980 eV is generated by the same mechanism as the pre-edge peak in Cu(2)O, i.e. involving scattering by the Cu atoms in the plane which is perpendicular to the O-Cu-O axis.</description><identifier>ISSN: 0953-8984</identifier><identifier>EISSN: 1361-648X</identifier><identifier>DOI: 10.1088/0953-8984/21/25/255401</identifier><identifier>PMID: 21828437</identifier><identifier>CODEN: JCOMEL</identifier><language>eng</language><publisher>Bristol: IOP Publishing</publisher><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Exact sciences and technology ; Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation ; Other interactions of matter with particles and radiation ; Physics ; X-ray absorption and absorption edges</subject><ispartof>Journal of physics. 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Condensed matter</title><addtitle>J Phys Condens Matter</addtitle><description>Cu K-edge x-ray absorption near-edge structure (XANES) spectra of trigonal (3R) CuScO(2) and CuLaO(2) and of hexagonal (2H) CuScO(2) were investigated experimentally and theoretically, in order to study differences between spectra of isostructural and isoelectronic compounds. Significant differences were found in the Cu K-edge XANES of 3R CuScO(2) and 3R CuLaO(2); these differences can be understood by considering the calculated polarization dependence of the XANES spectra and the differences between the phaseshifts of Sc and La. Spectra of the 3R and 2H polytypes of CuScO(2) differ only weakly and the difference originates from the long-range order. The pre-edge peak around 8980 eV is generated by the same mechanism as the pre-edge peak in Cu(2)O, i.e. involving scattering by the Cu atoms in the plane which is perpendicular to the O-Cu-O axis.</description><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Exact sciences and technology</subject><subject>Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation</subject><subject>Other interactions of matter with particles and radiation</subject><subject>Physics</subject><subject>X-ray absorption and absorption edges</subject><issn>0953-8984</issn><issn>1361-648X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2009</creationdate><recordtype>article</recordtype><recordid>eNqN0U2L1TAUBuAginMd_QtDN-qq3px89KbgZriMHzg4CxVmF9LkZIz0NjVJF_Pvbe11EBUVAiHheZOTE0LOgL4AqtSWtpLXqlViy2DL5DykoHCPbIA3UDdCXd8nmzt0Qh7l_IVSKhQXD8kJA8WU4LsNcVdDVT5jFVO4CUMV_feVC95jwsFirsIK9lP1rkZ3g9X1-fuLD4sMOeaSJlumZPrKDG7ZwR5tSXEItrLxMMZpcPkxeeBNn_HJcT4ln15dfNy_qS-vXr_dn1_WlisoNRhFfdf5zguJHlAg7bj3grqOC8aoVVa2cqd2Xcu4cMCUw_kRtEHR7aBV_JQ8X88dU_w6YS76ELLFvjcDxilrpTidUy3M8tlfJReSchBshs0KbYo5J_R6TOFg0q0Gqpef0EuT9dJkzUAzqdefmINnxxum7oDuLvaj9TN4egQmW9P7ZAYb8k-u4RJaMbuXv1RgQzElxKEkE_p_1wFrPMTx_2uvf8_82erRef4NcWq_Kw</recordid><startdate>20090624</startdate><enddate>20090624</enddate><creator>Šipr, O</creator><creator>Rocca, F</creator><creator>Fornasini, P</creator><general>IOP Publishing</general><general>Institute of Physics</general><scope>IQODW</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope><scope>7X8</scope></search><sort><creationdate>20090624</creationdate><title>On the origin of the differences in the Cu K-edge XANES of isostructural and isoelectronic compounds</title><author>Šipr, O ; Rocca, F ; Fornasini, P</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c381t-1a80fbbfbf45ef1e4e0b3ff40db34220c8c595787b9234d128de43706e4b71983</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2009</creationdate><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Exact sciences and technology</topic><topic>Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation</topic><topic>Other interactions of matter with particles and radiation</topic><topic>Physics</topic><topic>X-ray absorption and absorption edges</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Šipr, O</creatorcontrib><creatorcontrib>Rocca, F</creatorcontrib><creatorcontrib>Fornasini, P</creatorcontrib><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of physics. Condensed matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Šipr, O</au><au>Rocca, F</au><au>Fornasini, P</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>On the origin of the differences in the Cu K-edge XANES of isostructural and isoelectronic compounds</atitle><jtitle>Journal of physics. Condensed matter</jtitle><addtitle>J Phys Condens Matter</addtitle><date>2009-06-24</date><risdate>2009</risdate><volume>21</volume><issue>25</issue><spage>255401</spage><epage>255401 (9)</epage><pages>255401-255401 (9)</pages><artnum>255401</artnum><issn>0953-8984</issn><eissn>1361-648X</eissn><coden>JCOMEL</coden><abstract>Cu K-edge x-ray absorption near-edge structure (XANES) spectra of trigonal (3R) CuScO(2) and CuLaO(2) and of hexagonal (2H) CuScO(2) were investigated experimentally and theoretically, in order to study differences between spectra of isostructural and isoelectronic compounds. Significant differences were found in the Cu K-edge XANES of 3R CuScO(2) and 3R CuLaO(2); these differences can be understood by considering the calculated polarization dependence of the XANES spectra and the differences between the phaseshifts of Sc and La. Spectra of the 3R and 2H polytypes of CuScO(2) differ only weakly and the difference originates from the long-range order. The pre-edge peak around 8980 eV is generated by the same mechanism as the pre-edge peak in Cu(2)O, i.e. involving scattering by the Cu atoms in the plane which is perpendicular to the O-Cu-O axis.</abstract><cop>Bristol</cop><pub>IOP Publishing</pub><pmid>21828437</pmid><doi>10.1088/0953-8984/21/25/255401</doi><tpages>1</tpages></addata></record> |
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subjects | Condensed matter: electronic structure, electrical, magnetic, and optical properties Exact sciences and technology Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation Other interactions of matter with particles and radiation Physics X-ray absorption and absorption edges |
title | On the origin of the differences in the Cu K-edge XANES of isostructural and isoelectronic compounds |
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