Structure and atomic vibrations in bimetallic $ Ni_{13 − n} $$ Al_{n} $ clusters
Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic cl...
Ausführliche Beschreibung
Autor*in: |
Rusina, G. G. [verfasserIn] |
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Format: |
Artikel |
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Sprache: |
Englisch |
Erschienen: |
2015 |
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Schlagwörter: |
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Anmerkung: |
© Pleiades Publishing, Inc. 2015 |
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Übergeordnetes Werk: |
Enthalten in: Journal of experimental and theoretical physics / JETP letters - Pleiades Publishing, 1993, 101(2015), 7 vom: Apr., Seite 474-480 |
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Übergeordnetes Werk: |
volume:101 ; year:2015 ; number:7 ; month:04 ; pages:474-480 |
Links: |
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DOI / URN: |
10.1134/S0021364015070139 |
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Katalog-ID: |
OLC2085807216 |
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10.1134/S0021364015070139 doi (DE-627)OLC2085807216 (DE-He213)S0021364015070139-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Rusina, G. G. verfasserin aut Structure and atomic vibrations in bimetallic $ Ni_{13 − n} $$ Al_{n} $ clusters 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2015 Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms. JETP Letter Cluster Atom Nickel Atom Breathing Mode Vibration State Borisova, S. D. aut Chulkov, E. V. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 101(2015), 7 vom: Apr., Seite 474-480 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:101 year:2015 number:7 month:04 pages:474-480 https://doi.org/10.1134/S0021364015070139 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 101 2015 7 04 474-480 |
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10.1134/S0021364015070139 doi (DE-627)OLC2085807216 (DE-He213)S0021364015070139-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Rusina, G. G. verfasserin aut Structure and atomic vibrations in bimetallic $ Ni_{13 − n} $$ Al_{n} $ clusters 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2015 Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms. JETP Letter Cluster Atom Nickel Atom Breathing Mode Vibration State Borisova, S. D. aut Chulkov, E. V. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 101(2015), 7 vom: Apr., Seite 474-480 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:101 year:2015 number:7 month:04 pages:474-480 https://doi.org/10.1134/S0021364015070139 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 101 2015 7 04 474-480 |
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10.1134/S0021364015070139 doi (DE-627)OLC2085807216 (DE-He213)S0021364015070139-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Rusina, G. G. verfasserin aut Structure and atomic vibrations in bimetallic $ Ni_{13 − n} $$ Al_{n} $ clusters 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2015 Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms. JETP Letter Cluster Atom Nickel Atom Breathing Mode Vibration State Borisova, S. D. aut Chulkov, E. V. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 101(2015), 7 vom: Apr., Seite 474-480 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:101 year:2015 number:7 month:04 pages:474-480 https://doi.org/10.1134/S0021364015070139 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 101 2015 7 04 474-480 |
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10.1134/S0021364015070139 doi (DE-627)OLC2085807216 (DE-He213)S0021364015070139-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Rusina, G. G. verfasserin aut Structure and atomic vibrations in bimetallic $ Ni_{13 − n} $$ Al_{n} $ clusters 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2015 Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms. JETP Letter Cluster Atom Nickel Atom Breathing Mode Vibration State Borisova, S. D. aut Chulkov, E. V. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 101(2015), 7 vom: Apr., Seite 474-480 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:101 year:2015 number:7 month:04 pages:474-480 https://doi.org/10.1134/S0021364015070139 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 101 2015 7 04 474-480 |
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10.1134/S0021364015070139 doi (DE-627)OLC2085807216 (DE-He213)S0021364015070139-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Rusina, G. G. verfasserin aut Structure and atomic vibrations in bimetallic $ Ni_{13 − n} $$ Al_{n} $ clusters 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2015 Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms. JETP Letter Cluster Atom Nickel Atom Breathing Mode Vibration State Borisova, S. D. aut Chulkov, E. V. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 101(2015), 7 vom: Apr., Seite 474-480 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:101 year:2015 number:7 month:04 pages:474-480 https://doi.org/10.1134/S0021364015070139 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 101 2015 7 04 474-480 |
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Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms. © Pleiades Publishing, Inc. 2015 |
abstractGer |
Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms. © Pleiades Publishing, Inc. 2015 |
abstract_unstemmed |
Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms. © Pleiades Publishing, Inc. 2015 |
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<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">OLC2085807216</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230504104800.0</controlfield><controlfield tag="007">tu</controlfield><controlfield tag="008">230302s2015 xx ||||| 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1134/S0021364015070139</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)OLC2085807216</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-He213)S0021364015070139-p</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">530</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">33.00</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Rusina, G. G.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Structure and atomic vibrations in bimetallic $ Ni_{13 − n} $$ Al_{n} $ clusters</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2015</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© Pleiades Publishing, Inc. 2015</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters $ Ni_{13 − n} $$ Al_{n} $ (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">JETP Letter</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Cluster Atom</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Nickel Atom</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Breathing Mode</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Vibration State</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Borisova, S. D.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Chulkov, E. 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