First-principles calculation of surface phonons on the Al(100) surface
The surface-phonon dispersion curves of Al(110) have been calculated with force constants determined from first-principles self-consistent total-energy calculations. Relaxation of the surface layers produces changes in the surface force constants which have a significant influence on the surface-pho...
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| Veröffentlicht in: | Phys. Rev. Lett.; (United States) 1986-03, Vol.56 (9), p.934-937 |
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| container_title | Phys. Rev. Lett.; (United States) |
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| creator | HO, K. M BOHNEN, K. P |
| description | The surface-phonon dispersion curves of Al(110) have been calculated with force constants determined from first-principles self-consistent total-energy calculations. Relaxation of the surface layers produces changes in the surface force constants which have a significant influence on the surface-phonon frequencies near the zone boundary. |
| doi_str_mv | 10.1103/PhysRevLett.56.934 |
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Relaxation of the surface layers produces changes in the surface force constants which have a significant influence on the surface-phonon frequencies near the zone boundary.</description><identifier>ISSN: 0031-9007</identifier><identifier>EISSN: 1079-7114</identifier><identifier>DOI: 10.1103/PhysRevLett.56.934</identifier><identifier>PMID: 10033324</identifier><identifier>CODEN: PRLTAO</identifier><language>eng</language><publisher>Ridge, NY: American Physical Society</publisher><subject>360104 - Metals & Alloys- Physical Properties ; ALUMINIUM ; Condensed matter: structure, mechanical and thermal properties ; Cross-disciplinary physics: materials science; rheology ; DATA ; DISPERSION RELATIONS ; ELEMENTS ; ENERGY SYSTEMS ; Exact sciences and technology ; INFORMATION ; Lattice dynamics ; MATERIALS SCIENCE ; METALS ; Metals, semimetals and alloys ; NUMERICAL DATA ; Phonon states and bands, normal modes, and phonon dispersion ; PHONONS ; Phonons and vibrations in crystal lattices ; Physics ; QUASI PARTICLES ; Specific materials ; SURFACES ; THEORETICAL DATA ; TOTAL ENERGY SYSTEMS</subject><ispartof>Phys. 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M</creatorcontrib><creatorcontrib>BOHNEN, K. P</creatorcontrib><creatorcontrib>Department of Physics, Iowa State University, Ames, Iowa 50011</creatorcontrib><creatorcontrib>Ames Laboratory-United States Department of Energy</creatorcontrib><title>First-principles calculation of surface phonons on the Al(100) surface</title><title>Phys. Rev. Lett.; (United States)</title><addtitle>Phys Rev Lett</addtitle><description>The surface-phonon dispersion curves of Al(110) have been calculated with force constants determined from first-principles self-consistent total-energy calculations. Relaxation of the surface layers produces changes in the surface force constants which have a significant influence on the surface-phonon frequencies near the zone boundary.</description><subject>360104 - Metals & Alloys- Physical Properties</subject><subject>ALUMINIUM</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Cross-disciplinary physics: materials science; rheology</subject><subject>DATA</subject><subject>DISPERSION RELATIONS</subject><subject>ELEMENTS</subject><subject>ENERGY SYSTEMS</subject><subject>Exact sciences and technology</subject><subject>INFORMATION</subject><subject>Lattice dynamics</subject><subject>MATERIALS SCIENCE</subject><subject>METALS</subject><subject>Metals, semimetals and alloys</subject><subject>NUMERICAL DATA</subject><subject>Phonon states and bands, normal modes, and phonon dispersion</subject><subject>PHONONS</subject><subject>Phonons and vibrations in crystal lattices</subject><subject>Physics</subject><subject>QUASI PARTICLES</subject><subject>Specific materials</subject><subject>SURFACES</subject><subject>THEORETICAL DATA</subject><subject>TOTAL ENERGY SYSTEMS</subject><issn>0031-9007</issn><issn>1079-7114</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1986</creationdate><recordtype>article</recordtype><recordid>eNpNkE1LAzEQhoMotn78AQ-yiAc9bM0km2T3KMWqUFBEz2GbTujKdlN3soL_3kireBqYed6X4WHsDPgEgMub59UXveDnHGOcKD2pZLHHxsBNlRuAYp-NOZeQV5ybETsieuecg9DlIRtBukgpijGbzZqeYr7pm841mxYpc3XrhraOTeiy4DMael87zDar0IWOsrSNK8xu26tUcv17PmEHvm4JT3fzmL3N7l6nD_n86f5xejvPnVQm5ljK0gu1lF5LB-BBlwoMIEcvhRIKFwtEVSDXUlRepHeFdwtZeUTQolzKY3ax7Q0UG0uuiehWLnQdumg1F8IoSNDVFtr04WNAinbdkMO2rTsMA1koVSV0IY1OqNiirg9EPXqbTKzr_ssCtz-S7T_JVmmbJKfQ-a5_WKxx-S-ytZqAyx1QU9Lp-zrJpT-uNIqXRspvAZ-Fmw</recordid><startdate>19860303</startdate><enddate>19860303</enddate><creator>HO, K. 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P</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c357t-e838f25d3f63c11f1685171e0ef32525ebbee54e06329f20122fcb39fee1628d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1986</creationdate><topic>360104 - Metals & Alloys- Physical Properties</topic><topic>ALUMINIUM</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Cross-disciplinary physics: materials science; rheology</topic><topic>DATA</topic><topic>DISPERSION RELATIONS</topic><topic>ELEMENTS</topic><topic>ENERGY SYSTEMS</topic><topic>Exact sciences and technology</topic><topic>INFORMATION</topic><topic>Lattice dynamics</topic><topic>MATERIALS SCIENCE</topic><topic>METALS</topic><topic>Metals, semimetals and alloys</topic><topic>NUMERICAL DATA</topic><topic>Phonon states and bands, normal modes, and phonon dispersion</topic><topic>PHONONS</topic><topic>Phonons and vibrations in crystal lattices</topic><topic>Physics</topic><topic>QUASI PARTICLES</topic><topic>Specific materials</topic><topic>SURFACES</topic><topic>THEORETICAL DATA</topic><topic>TOTAL ENERGY SYSTEMS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>HO, K. M</creatorcontrib><creatorcontrib>BOHNEN, K. P</creatorcontrib><creatorcontrib>Department of Physics, Iowa State University, Ames, Iowa 50011</creatorcontrib><creatorcontrib>Ames Laboratory-United States Department of Energy</creatorcontrib><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Phys. Rev. Lett.; (United States)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>HO, K. M</au><au>BOHNEN, K. P</au><aucorp>Department of Physics, Iowa State University, Ames, Iowa 50011</aucorp><aucorp>Ames Laboratory-United States Department of Energy</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>First-principles calculation of surface phonons on the Al(100) surface</atitle><jtitle>Phys. Rev. Lett.; (United States)</jtitle><addtitle>Phys Rev Lett</addtitle><date>1986-03-03</date><risdate>1986</risdate><volume>56</volume><issue>9</issue><spage>934</spage><epage>937</epage><pages>934-937</pages><issn>0031-9007</issn><eissn>1079-7114</eissn><coden>PRLTAO</coden><abstract>The surface-phonon dispersion curves of Al(110) have been calculated with force constants determined from first-principles self-consistent total-energy calculations. Relaxation of the surface layers produces changes in the surface force constants which have a significant influence on the surface-phonon frequencies near the zone boundary.</abstract><cop>Ridge, NY</cop><pub>American Physical Society</pub><pmid>10033324</pmid><doi>10.1103/PhysRevLett.56.934</doi><tpages>4</tpages></addata></record> |
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| ispartof | Phys. Rev. Lett.; (United States), 1986-03, Vol.56 (9), p.934-937 |
| issn | 0031-9007 1079-7114 |
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| source | APS: American Physical Society E-Journals (Physics) |
| subjects | 360104 - Metals & Alloys- Physical Properties ALUMINIUM Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology DATA DISPERSION RELATIONS ELEMENTS ENERGY SYSTEMS Exact sciences and technology INFORMATION Lattice dynamics MATERIALS SCIENCE METALS Metals, semimetals and alloys NUMERICAL DATA Phonon states and bands, normal modes, and phonon dispersion PHONONS Phonons and vibrations in crystal lattices Physics QUASI PARTICLES Specific materials SURFACES THEORETICAL DATA TOTAL ENERGY SYSTEMS |
| title | First-principles calculation of surface phonons on the Al(100) surface |
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