Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates
Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to b...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Nazarenko, E. S. [verfasserIn] Novikovskii, N. M. [verfasserIn] Novakovich, A. A. [verfasserIn] Vedrinskii, R. V. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2011 |
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| Schlagwörter: |
near-edge structure of absorption |
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| Übergeordnetes Werk: |
Enthalten in: Journal of structural chemistry - New York, NY [u.a.] : Consultants Bureau, 1960, 52(2011), Suppl 1 vom: Dez., Seite 176-180 |
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| Übergeordnetes Werk: |
volume:52 ; year:2011 ; number:Suppl 1 ; month:12 ; pages:176-180 |
| Links: |
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| DOI / URN: |
10.1134/S0022476611070237 |
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| Katalog-ID: |
SPR014837684 |
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| 520 | |a Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. | ||
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| 650 | 4 | |a near-edge structure of absorption |7 (dpeaa)DE-He213 | |
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| 650 | 4 | |a perovskite-structure titanates |7 (dpeaa)DE-He213 | |
| 650 | 4 | |a near-edge structure |7 (dpeaa)DE-He213 | |
| 700 | 1 | |a Novikovskii, N. M. |e verfasserin |4 aut | |
| 700 | 1 | |a Novakovich, A. A. |e verfasserin |4 aut | |
| 700 | 1 | |a Vedrinskii, R. V. |e verfasserin |4 aut | |
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10.1134/S0022476611070237 doi (DE-627)SPR014837684 (SPR)S0022476611070237-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Nazarenko, E. S. verfasserin aut Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. full multiple scattering (dpeaa)DE-He213 near-edge structure of absorption (dpeaa)DE-He213 spectra (dpeaa)DE-He213 perovskite-structure titanates (dpeaa)DE-He213 near-edge structure (dpeaa)DE-He213 Novikovskii, N. M. verfasserin aut Novakovich, A. A. verfasserin aut Vedrinskii, R. V. verfasserin aut Enthalten in Journal of structural chemistry New York, NY [u.a.] : Consultants Bureau, 1960 52(2011), Suppl 1 vom: Dez., Seite 176-180 (DE-627)325573530 (DE-600)2037691-1 1573-8779 nnns volume:52 year:2011 number:Suppl 1 month:12 pages:176-180 https://dx.doi.org/10.1134/S0022476611070237 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 52 2011 Suppl 1 12 176-180 |
| spelling |
10.1134/S0022476611070237 doi (DE-627)SPR014837684 (SPR)S0022476611070237-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Nazarenko, E. S. verfasserin aut Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. full multiple scattering (dpeaa)DE-He213 near-edge structure of absorption (dpeaa)DE-He213 spectra (dpeaa)DE-He213 perovskite-structure titanates (dpeaa)DE-He213 near-edge structure (dpeaa)DE-He213 Novikovskii, N. M. verfasserin aut Novakovich, A. A. verfasserin aut Vedrinskii, R. V. verfasserin aut Enthalten in Journal of structural chemistry New York, NY [u.a.] : Consultants Bureau, 1960 52(2011), Suppl 1 vom: Dez., Seite 176-180 (DE-627)325573530 (DE-600)2037691-1 1573-8779 nnns volume:52 year:2011 number:Suppl 1 month:12 pages:176-180 https://dx.doi.org/10.1134/S0022476611070237 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 52 2011 Suppl 1 12 176-180 |
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10.1134/S0022476611070237 doi (DE-627)SPR014837684 (SPR)S0022476611070237-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Nazarenko, E. S. verfasserin aut Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. full multiple scattering (dpeaa)DE-He213 near-edge structure of absorption (dpeaa)DE-He213 spectra (dpeaa)DE-He213 perovskite-structure titanates (dpeaa)DE-He213 near-edge structure (dpeaa)DE-He213 Novikovskii, N. M. verfasserin aut Novakovich, A. A. verfasserin aut Vedrinskii, R. V. verfasserin aut Enthalten in Journal of structural chemistry New York, NY [u.a.] : Consultants Bureau, 1960 52(2011), Suppl 1 vom: Dez., Seite 176-180 (DE-627)325573530 (DE-600)2037691-1 1573-8779 nnns volume:52 year:2011 number:Suppl 1 month:12 pages:176-180 https://dx.doi.org/10.1134/S0022476611070237 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 52 2011 Suppl 1 12 176-180 |
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10.1134/S0022476611070237 doi (DE-627)SPR014837684 (SPR)S0022476611070237-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Nazarenko, E. S. verfasserin aut Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. full multiple scattering (dpeaa)DE-He213 near-edge structure of absorption (dpeaa)DE-He213 spectra (dpeaa)DE-He213 perovskite-structure titanates (dpeaa)DE-He213 near-edge structure (dpeaa)DE-He213 Novikovskii, N. M. verfasserin aut Novakovich, A. A. verfasserin aut Vedrinskii, R. V. verfasserin aut Enthalten in Journal of structural chemistry New York, NY [u.a.] : Consultants Bureau, 1960 52(2011), Suppl 1 vom: Dez., Seite 176-180 (DE-627)325573530 (DE-600)2037691-1 1573-8779 nnns volume:52 year:2011 number:Suppl 1 month:12 pages:176-180 https://dx.doi.org/10.1134/S0022476611070237 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 52 2011 Suppl 1 12 176-180 |
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10.1134/S0022476611070237 doi (DE-627)SPR014837684 (SPR)S0022476611070237-e DE-627 ger DE-627 rakwb eng 540 ASE 35.00 bkl Nazarenko, E. S. verfasserin aut Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. full multiple scattering (dpeaa)DE-He213 near-edge structure of absorption (dpeaa)DE-He213 spectra (dpeaa)DE-He213 perovskite-structure titanates (dpeaa)DE-He213 near-edge structure (dpeaa)DE-He213 Novikovskii, N. M. verfasserin aut Novakovich, A. A. verfasserin aut Vedrinskii, R. V. verfasserin aut Enthalten in Journal of structural chemistry New York, NY [u.a.] : Consultants Bureau, 1960 52(2011), Suppl 1 vom: Dez., Seite 176-180 (DE-627)325573530 (DE-600)2037691-1 1573-8779 nnns volume:52 year:2011 number:Suppl 1 month:12 pages:176-180 https://dx.doi.org/10.1134/S0022476611070237 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 ASE AR 52 2011 Suppl 1 12 176-180 |
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Enthalten in Journal of structural chemistry 52(2011), Suppl 1 vom: Dez., Seite 176-180 volume:52 year:2011 number:Suppl 1 month:12 pages:176-180 |
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Nazarenko, E. S. @@aut@@ Novikovskii, N. M. @@aut@@ Novakovich, A. A. @@aut@@ Vedrinskii, R. V. @@aut@@ |
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| author |
Nazarenko, E. S. |
| spellingShingle |
Nazarenko, E. S. ddc 540 bkl 35.00 misc full multiple scattering misc near-edge structure of absorption misc spectra misc perovskite-structure titanates misc near-edge structure Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates |
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1573-8779 |
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540 ASE 35.00 bkl Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates full multiple scattering (dpeaa)DE-He213 near-edge structure of absorption (dpeaa)DE-He213 spectra (dpeaa)DE-He213 perovskite-structure titanates (dpeaa)DE-He213 near-edge structure (dpeaa)DE-He213 |
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ddc 540 bkl 35.00 misc full multiple scattering misc near-edge structure of absorption misc spectra misc perovskite-structure titanates misc near-edge structure |
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ddc 540 bkl 35.00 misc full multiple scattering misc near-edge structure of absorption misc spectra misc perovskite-structure titanates misc near-edge structure |
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ddc 540 bkl 35.00 misc full multiple scattering misc near-edge structure of absorption misc spectra misc perovskite-structure titanates misc near-edge structure |
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Elektronische Aufsätze Aufsätze Elektronische Ressource |
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540 - Chemistry |
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Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates |
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(DE-627)SPR014837684 (SPR)S0022476611070237-e |
| title_full |
Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates |
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Nazarenko, E. S. |
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Journal of structural chemistry |
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Journal of structural chemistry |
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2011 |
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176 |
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Nazarenko, E. S. Novikovskii, N. M. Novakovich, A. A. Vedrinskii, R. V. |
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52 |
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540 ASE 35.00 bkl |
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Elektronische Aufsätze |
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Nazarenko, E. S. |
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10.1134/S0022476611070237 |
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540 |
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verfasserin |
| title_sort |
mechanisms of near edge fine structure formation in k-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates |
| title_auth |
Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates |
| abstract |
Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. |
| abstractGer |
Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. |
| abstract_unstemmed |
Abstract Full multiple scattering in the cluster approximation with semiempirical MT potential was used for thorough investigation of the near-edge fine structure of Ti and O K spectra from $ PbTiO_{3} $, $ BaTiO_{3} $, $ CaTiO_{3} $ and $ SrTiO_{3} $ crystals. The calculated spectra were shown to be in good agreement with the experiment. The mechanisms underlying the emergence of fine structure elements of the spectra were revealed. Near-edge structure of titanium K spectra was examined in detail. In the general case, this structure was found to have five features of various nature. The quantitative description of near-edge structure requires a model of incomplete shielding of the 1s hole. Substantiation of this model was proposed. |
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Suppl 1 |
| title_short |
Mechanisms of near edge fine structure formation in K-edge absorption spectra of oxygen and metal atoms in the perovskite-structure titanates |
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https://dx.doi.org/10.1134/S0022476611070237 |
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Novikovskii, N. M. Novakovich, A. A. Vedrinskii, R. V. |
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Novikovskii, N. M. Novakovich, A. A. Vedrinskii, R. V. |
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2024-07-04T03:13:43.482Z |
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| score |
7.3976994 |