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Dynamic Stability of Submonolayer Structures in the Li/Cu(111) System
The equilibrium crystal structure and vibrational properties of the Li/Cu(111) system have been calculated theoretically using the interatomic potentials obtained within the embedded atom method. The submonolayer p , p , and structures formed at degrees of lithium adsorption from 0.11 to 0.33 monola...
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| Published in: | JETP letters 2022-08, Vol.116 (4), p.261-267 |
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| container_end_page | 267 |
| container_issue | 4 |
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| container_title | JETP letters |
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| creator | Rusina, G. G. Borisova, S. D. Chulkov, E. V. |
| description | The equilibrium crystal structure and vibrational properties of the Li/Cu(111) system have been calculated theoretically using the interatomic potentials obtained within the embedded atom method. The submonolayer
p
,
p
, and
structures formed at degrees of lithium adsorption from 0.11 to 0.33 monolayer and bilayer (2 × 2)-3Li structure have been considered. Surface relaxation data, phonon spectra, and the local distribution density of vibrational states on the adatoms and atoms of the substrate are presented. The calculations have shown that an increase in the degree of submonolayer adsorption of lithium on the Cu(111) surface results in the dependence of the energy of low-frequency longitudinal vibrations of adatoms that is atypical of alkali metals. The energy of such vibrations decreases in the range from 0.11 to 0.56 monolayer down to imaginary values in the saturated monolayer coating. A further increase in the degree of adsorption to 0.75 monolayer leads to the formation of the dynamically stable Cu(111)-(2 × 2)-3Li structure with the strong hybridization of all types of vibrations of Li atoms and the substrate. |
| doi_str_mv | 10.1134/S0021364022601439 |
| format | article |
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p
,
p
, and
structures formed at degrees of lithium adsorption from 0.11 to 0.33 monolayer and bilayer (2 × 2)-3Li structure have been considered. Surface relaxation data, phonon spectra, and the local distribution density of vibrational states on the adatoms and atoms of the substrate are presented. The calculations have shown that an increase in the degree of submonolayer adsorption of lithium on the Cu(111) surface results in the dependence of the energy of low-frequency longitudinal vibrations of adatoms that is atypical of alkali metals. The energy of such vibrations decreases in the range from 0.11 to 0.56 monolayer down to imaginary values in the saturated monolayer coating. A further increase in the degree of adsorption to 0.75 monolayer leads to the formation of the dynamically stable Cu(111)-(2 × 2)-3Li structure with the strong hybridization of all types of vibrations of Li atoms and the substrate.</description><identifier>ISSN: 0021-3640</identifier><identifier>EISSN: 1090-6487</identifier><identifier>DOI: 10.1134/S0021364022601439</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Adatoms ; Adsorption ; Alkali metals ; Atomic ; Bilayers ; Biological and Medical Physics ; Biophysics ; Condensed Matter ; Crystal structure ; Dynamic stability ; Embedded atom method ; Lithium ; Mathematical analysis ; Molecular ; Monolayers ; Optical and Plasma Physics ; Particle and Nuclear Physics ; Physics ; Physics and Astronomy ; Quantum Information Technology ; Solid State Physics ; Spintronics ; Structural stability ; Substrates ; Surface chemistry ; Vibrational states</subject><ispartof>JETP letters, 2022-08, Vol.116 (4), p.261-267</ispartof><rights>Pleiades Publishing, Inc. 2022. ISSN 0021-3640, JETP Letters, 2022, Vol. 116, No. 4, pp. 261–267. © Pleiades Publishing, Inc., 2022. Russian Text © The Author(s), 2022, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2022, Vol. 116, No. 4, pp. 253–259.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c316t-37fa3a94ce49db6983f36e521c9274c794b10eb7c9a123f2a3fa5f0082a0f3933</citedby><cites>FETCH-LOGICAL-c316t-37fa3a94ce49db6983f36e521c9274c794b10eb7c9a123f2a3fa5f0082a0f3933</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,786,790,27957,27958</link.rule.ids></links><search><creatorcontrib>Rusina, G. G.</creatorcontrib><creatorcontrib>Borisova, S. D.</creatorcontrib><creatorcontrib>Chulkov, E. V.</creatorcontrib><title>Dynamic Stability of Submonolayer Structures in the Li/Cu(111) System</title><title>JETP letters</title><addtitle>Jetp Lett</addtitle><description>The equilibrium crystal structure and vibrational properties of the Li/Cu(111) system have been calculated theoretically using the interatomic potentials obtained within the embedded atom method. The submonolayer
p
,
p
, and
structures formed at degrees of lithium adsorption from 0.11 to 0.33 monolayer and bilayer (2 × 2)-3Li structure have been considered. Surface relaxation data, phonon spectra, and the local distribution density of vibrational states on the adatoms and atoms of the substrate are presented. The calculations have shown that an increase in the degree of submonolayer adsorption of lithium on the Cu(111) surface results in the dependence of the energy of low-frequency longitudinal vibrations of adatoms that is atypical of alkali metals. The energy of such vibrations decreases in the range from 0.11 to 0.56 monolayer down to imaginary values in the saturated monolayer coating. A further increase in the degree of adsorption to 0.75 monolayer leads to the formation of the dynamically stable Cu(111)-(2 × 2)-3Li structure with the strong hybridization of all types of vibrations of Li atoms and the substrate.</description><subject>Adatoms</subject><subject>Adsorption</subject><subject>Alkali metals</subject><subject>Atomic</subject><subject>Bilayers</subject><subject>Biological and Medical Physics</subject><subject>Biophysics</subject><subject>Condensed Matter</subject><subject>Crystal structure</subject><subject>Dynamic stability</subject><subject>Embedded atom method</subject><subject>Lithium</subject><subject>Mathematical analysis</subject><subject>Molecular</subject><subject>Monolayers</subject><subject>Optical and Plasma Physics</subject><subject>Particle and Nuclear Physics</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Quantum Information Technology</subject><subject>Solid State Physics</subject><subject>Spintronics</subject><subject>Structural stability</subject><subject>Substrates</subject><subject>Surface chemistry</subject><subject>Vibrational states</subject><issn>0021-3640</issn><issn>1090-6487</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp1kD1PwzAURS0EEqXwA9gsscAQ6ufn2vGISvmQKjEE5sgxNqRqkmI7Q_49qYLEgJjecM-5T7qEXAK7BUCxKBjjgFIwziUDgfqIzIBplkmRq2MyO8TZIT8lZzFuGQPIUc3I-n5oTVNbWiRT1bs6DbTztOirpmu7nRlcGJPQ29QHF2nd0vTp6KZerPprALihxRCTa87JiTe76C5-7py8PaxfV0_Z5uXxeXW3ySyCTBkqb9BoYZ3Q75XUOXqUbsnBaq6EVVpUwFylrDbA0XOD3iw9Yzk3zKNGnJOrqXcfuq_exVRuuz6048uSKy7FEqTgIwUTZUMXY3C-3Ie6MWEogZWHtco_a40On5w4su2HC7_N_0vfe1NpTA</recordid><startdate>20220801</startdate><enddate>20220801</enddate><creator>Rusina, G. G.</creator><creator>Borisova, S. D.</creator><creator>Chulkov, E. V.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20220801</creationdate><title>Dynamic Stability of Submonolayer Structures in the Li/Cu(111) System</title><author>Rusina, G. G. ; Borisova, S. D. ; Chulkov, E. V.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c316t-37fa3a94ce49db6983f36e521c9274c794b10eb7c9a123f2a3fa5f0082a0f3933</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Adatoms</topic><topic>Adsorption</topic><topic>Alkali metals</topic><topic>Atomic</topic><topic>Bilayers</topic><topic>Biological and Medical Physics</topic><topic>Biophysics</topic><topic>Condensed Matter</topic><topic>Crystal structure</topic><topic>Dynamic stability</topic><topic>Embedded atom method</topic><topic>Lithium</topic><topic>Mathematical analysis</topic><topic>Molecular</topic><topic>Monolayers</topic><topic>Optical and Plasma Physics</topic><topic>Particle and Nuclear Physics</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Quantum Information Technology</topic><topic>Solid State Physics</topic><topic>Spintronics</topic><topic>Structural stability</topic><topic>Substrates</topic><topic>Surface chemistry</topic><topic>Vibrational states</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Rusina, G. G.</creatorcontrib><creatorcontrib>Borisova, S. D.</creatorcontrib><creatorcontrib>Chulkov, E. V.</creatorcontrib><collection>CrossRef</collection><jtitle>JETP letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Rusina, G. G.</au><au>Borisova, S. D.</au><au>Chulkov, E. V.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Dynamic Stability of Submonolayer Structures in the Li/Cu(111) System</atitle><jtitle>JETP letters</jtitle><stitle>Jetp Lett</stitle><date>2022-08-01</date><risdate>2022</risdate><volume>116</volume><issue>4</issue><spage>261</spage><epage>267</epage><pages>261-267</pages><issn>0021-3640</issn><eissn>1090-6487</eissn><abstract>The equilibrium crystal structure and vibrational properties of the Li/Cu(111) system have been calculated theoretically using the interatomic potentials obtained within the embedded atom method. The submonolayer
p
,
p
, and
structures formed at degrees of lithium adsorption from 0.11 to 0.33 monolayer and bilayer (2 × 2)-3Li structure have been considered. Surface relaxation data, phonon spectra, and the local distribution density of vibrational states on the adatoms and atoms of the substrate are presented. The calculations have shown that an increase in the degree of submonolayer adsorption of lithium on the Cu(111) surface results in the dependence of the energy of low-frequency longitudinal vibrations of adatoms that is atypical of alkali metals. The energy of such vibrations decreases in the range from 0.11 to 0.56 monolayer down to imaginary values in the saturated monolayer coating. A further increase in the degree of adsorption to 0.75 monolayer leads to the formation of the dynamically stable Cu(111)-(2 × 2)-3Li structure with the strong hybridization of all types of vibrations of Li atoms and the substrate.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S0021364022601439</doi><tpages>7</tpages></addata></record> |
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| language | eng |
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| subjects | Adatoms Adsorption Alkali metals Atomic Bilayers Biological and Medical Physics Biophysics Condensed Matter Crystal structure Dynamic stability Embedded atom method Lithium Mathematical analysis Molecular Monolayers Optical and Plasma Physics Particle and Nuclear Physics Physics Physics and Astronomy Quantum Information Technology Solid State Physics Spintronics Structural stability Substrates Surface chemistry Vibrational states |
| title | Dynamic Stability of Submonolayer Structures in the Li/Cu(111) System |
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