Cu(111) and Ag(111) surface-phonon spectrum: the importance of avoided crossings
Embedded-atom method (EAM) calculations of the phonon energies, polarizations, and first- and second-neighbor interatomic-force-constant tensors of the clean Cu(111) and Ag(111) surfaces are presented. Using embedded-atom parameters fit to bulk properties, we find that the EAM provides an accurate a...
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| Veröffentlicht in: | Phys. Rev. B: Condens. Matter; (United States) 1989-07, Vol.40 (3), p.1465-1480 |
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| container_issue | 3 |
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| container_title | Phys. Rev. B: Condens. Matter; (United States) |
| container_volume | 40 |
| creator | NELSON, J. S DAW, M. S SOWA, E. C |
| description | Embedded-atom method (EAM) calculations of the phonon energies, polarizations, and first- and second-neighbor interatomic-force-constant tensors of the clean Cu(111) and Ag(111) surfaces are presented. Using embedded-atom parameters fit to bulk properties, we find that the EAM provides an accurate and detailed description of the lattice dynamics of these surfaces, in good agreement with the measured surface vibrational spectra. We find only modest 10--15 % changes in the surface force constants for both Cu and Ag from their bulk values. Our calculations also suggest an explanation for the anomalous softening of the longitudinal resonance mode along the /Gamma//ital M/ symmetry line in terms of an avoided crossing of first- and second-layer sagittal-plane modes. |
| doi_str_mv | 10.1103/PhysRevB.40.1465 |
| format | Article |
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S ; DAW, M. S ; SOWA, E. C</creator><creatorcontrib>NELSON, J. S ; DAW, M. S ; SOWA, E. C ; Sandia National Laboratories, Livermore, California 94550-5800(US)</creatorcontrib><description>Embedded-atom method (EAM) calculations of the phonon energies, polarizations, and first- and second-neighbor interatomic-force-constant tensors of the clean Cu(111) and Ag(111) surfaces are presented. Using embedded-atom parameters fit to bulk properties, we find that the EAM provides an accurate and detailed description of the lattice dynamics of these surfaces, in good agreement with the measured surface vibrational spectra. We find only modest 10--15 % changes in the surface force constants for both Cu and Ag from their bulk values. 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S</creatorcontrib><creatorcontrib>DAW, M. S</creatorcontrib><creatorcontrib>SOWA, E. C</creatorcontrib><creatorcontrib>Sandia National Laboratories, Livermore, California 94550-5800(US)</creatorcontrib><title>Cu(111) and Ag(111) surface-phonon spectrum: the importance of avoided crossings</title><title>Phys. Rev. B: Condens. Matter; (United States)</title><addtitle>Phys Rev B Condens Matter</addtitle><description>Embedded-atom method (EAM) calculations of the phonon energies, polarizations, and first- and second-neighbor interatomic-force-constant tensors of the clean Cu(111) and Ag(111) surfaces are presented. Using embedded-atom parameters fit to bulk properties, we find that the EAM provides an accurate and detailed description of the lattice dynamics of these surfaces, in good agreement with the measured surface vibrational spectra. We find only modest 10--15 % changes in the surface force constants for both Cu and Ag from their bulk values. Our calculations also suggest an explanation for the anomalous softening of the longitudinal resonance mode along the /Gamma//ital M/ symmetry line in terms of an avoided crossing of first- and second-layer sagittal-plane modes.</description><subject>360104 - Metals & Alloys- Physical Properties</subject><subject>Applied sciences</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>COPPER</subject><subject>Cross-disciplinary physics: materials science; rheology</subject><subject>ELEMENTS</subject><subject>ENERGY</subject><subject>Exact sciences and technology</subject><subject>INTERATOMIC FORCES</subject><subject>MATERIALS SCIENCE</subject><subject>METALS</subject><subject>Metals, semimetals and alloys</subject><subject>Metals. 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C</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c352t-d787c0bd964f5e8718d40f93e90e91a63484444d65de1300b4b2c3148d0a2a813</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1989</creationdate><topic>360104 - Metals & Alloys- Physical Properties</topic><topic>Applied sciences</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>COPPER</topic><topic>Cross-disciplinary physics: materials science; rheology</topic><topic>ELEMENTS</topic><topic>ENERGY</topic><topic>Exact sciences and technology</topic><topic>INTERATOMIC FORCES</topic><topic>MATERIALS SCIENCE</topic><topic>METALS</topic><topic>Metals, semimetals and alloys</topic><topic>Metals. Metallurgy</topic><topic>PHONONS</topic><topic>Physics</topic><topic>POLARIZATION</topic><topic>QUASI PARTICLES</topic><topic>SILVER</topic><topic>Solid surfaces and solid-solid interfaces</topic><topic>Specific materials</topic><topic>Surface structure and topography</topic><topic>SURFACES</topic><topic>Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)</topic><topic>TRANSITION ELEMENTS</topic><toplevel>online_resources</toplevel><creatorcontrib>NELSON, J. S</creatorcontrib><creatorcontrib>DAW, M. S</creatorcontrib><creatorcontrib>SOWA, E. C</creatorcontrib><creatorcontrib>Sandia National Laboratories, Livermore, California 94550-5800(US)</creatorcontrib><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Phys. Rev. B: Condens. Matter; (United States)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>NELSON, J. S</au><au>DAW, M. S</au><au>SOWA, E. C</au><aucorp>Sandia National Laboratories, Livermore, California 94550-5800(US)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Cu(111) and Ag(111) surface-phonon spectrum: the importance of avoided crossings</atitle><jtitle>Phys. Rev. B: Condens. Matter; (United States)</jtitle><addtitle>Phys Rev B Condens Matter</addtitle><date>1989-07-15</date><risdate>1989</risdate><volume>40</volume><issue>3</issue><spage>1465</spage><epage>1480</epage><pages>1465-1480</pages><issn>0163-1829</issn><eissn>1095-3795</eissn><coden>PRBMDO</coden><abstract>Embedded-atom method (EAM) calculations of the phonon energies, polarizations, and first- and second-neighbor interatomic-force-constant tensors of the clean Cu(111) and Ag(111) surfaces are presented. Using embedded-atom parameters fit to bulk properties, we find that the EAM provides an accurate and detailed description of the lattice dynamics of these surfaces, in good agreement with the measured surface vibrational spectra. We find only modest 10--15 % changes in the surface force constants for both Cu and Ag from their bulk values. Our calculations also suggest an explanation for the anomalous softening of the longitudinal resonance mode along the /Gamma//ital M/ symmetry line in terms of an avoided crossing of first- and second-layer sagittal-plane modes.</abstract><cop>Woodbury, NY</cop><pub>American Physical Society</pub><pmid>9991999</pmid><doi>10.1103/PhysRevB.40.1465</doi><tpages>16</tpages></addata></record> |
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| ispartof | Phys. Rev. B: Condens. Matter; (United States), 1989-07, Vol.40 (3), p.1465-1480 |
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| source | American Physical Society Journals |
| subjects | 360104 - Metals & Alloys- Physical Properties Applied sciences Condensed matter: structure, mechanical and thermal properties COPPER Cross-disciplinary physics: materials science rheology ELEMENTS ENERGY Exact sciences and technology INTERATOMIC FORCES MATERIALS SCIENCE METALS Metals, semimetals and alloys Metals. Metallurgy PHONONS Physics POLARIZATION QUASI PARTICLES SILVER Solid surfaces and solid-solid interfaces Specific materials Surface structure and topography SURFACES Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) TRANSITION ELEMENTS |
| title | Cu(111) and Ag(111) surface-phonon spectrum: the importance of avoided crossings |
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