Indium adatom diffusion and clustering on stepped copper surfaces
Identifieur interne : 01BB81 ( Main/Repository ); précédent : 01BB80; suivant : 01BB82Indium adatom diffusion and clustering on stepped copper surfaces
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Abstract
The energetics of indium adatom diffusion and clustering on stepped Cu (001) and (111) surfaces are determined by energy minimization calculations using the embedded-atom method. The terrace substitutional site is found to be energetically favored over adatom and bulk sites in each case, contrary to recent molecular-cluster calculations. Incorporation of indium adatoms into surface substitutional sites by an exchange mechanism is unlikely at low temperatures except at one type of close-packed step on the Cu (111) surface. Condensation of indium adatoms into epitaxial clusters with square and trigonal symmetry at (001) and (111) surfaces, respectively, will occur at low temperatures, while clustering of surface substitutional indium atoms will not. The considerable mobility, and subsequent clustering, of terrace substitutional indium atoms inferred from recent perturbed-angular-correlation experiments utilizing 111In as a radioactive probe thus conflict with these calculations.
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Indium adatom diffusion and clustering on stepped copper surfaces</title><author><name sortKey="Van Siclen, Clinton Dew" uniqKey="Van Siclen C">Clinton Dew. Van Siclen</name><affiliation wicri:level="2"><inist:fA14 i1="01"><s1>Idaho National Engineering Laboratory, P.O. Box 1625, Idaho Falls, Idaho 83415</s1><sZ>1 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Idaho</region></placeName><wicri:cityArea>Idaho National Engineering Laboratory, P.O. Box 1625, Idaho Falls</wicri:cityArea></affiliation></author></titleStmt><publicationStmt><idno type="inist">95-0160459</idno><date when="1995-03-15">1995-03-15</date><idno type="stanalyst">PASCAL 95-0160459 AIP</idno><idno type="RBID">Pascal:95-0160459</idno><idno type="wicri:Area/Main/Corpus">01CF81</idno><idno type="wicri:Area/Main/Repository">01BB81</idno></publicationStmt><seriesStmt><idno type="ISSN">0163-1829</idno><title level="j" type="abbreviated">Phys. Rev. B</title><title level="j" type="main">Physical Review B (Condensed Matter)</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Adsorption</term><term>Atomic clusters</term><term>Copper</term><term>Diffusion</term><term>Indium</term><term>Indium 111</term><term>Nuclear quadrupole resonance</term><term>Perturbed angular correlation</term><term>Radioisotopes</term><term>Surface properties</term><term>Theoretical study</term><term>Trapping</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Etude théorique</term><term>6835F</term><term>6835D</term><term>7680</term><term>Cuivre</term><term>Propriété surface</term><term>Indium</term><term>Diffusion(transport)</term><term>Agrégat atomique</term><term>Corrélation angulaire perturbée</term><term>Adsorption</term><term>Radioisotope</term><term>Indium 111</term><term>Résonance quadripolaire nucléaire</term><term>Piégeage</term></keywords><keywords scheme="Wicri" type="concept" xml:lang="fr"><term>Cuivre</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The energetics of indium adatom diffusion and clustering on stepped Cu (001) and (111) surfaces are determined by energy minimization calculations using the embedded-atom method. The terrace substitutional site is found to be energetically favored over adatom and bulk sites in each case, contrary to recent molecular-cluster calculations. Incorporation of indium adatoms into surface substitutional sites by an exchange mechanism is unlikely at low temperatures except at one type of close-packed step on the Cu (111) surface. Condensation of indium adatoms into epitaxial clusters with square and trigonal symmetry at (001) and (111) surfaces, respectively, will occur at low temperatures, while clustering of surface substitutional indium atoms will not. The considerable mobility, and subsequent clustering, of terrace substitutional indium atoms inferred from recent perturbed-angular-correlation experiments utilizing <sup>111</sup>In as a radioactive probe thus conflict with these calculations.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0163-1829</s0></fA01><fA02 i1="01"><s0>PRBMDO</s0></fA02><fA03 i2="1"><s0>Phys. Rev. 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The terrace substitutional site is found to be energetically favored over adatom and bulk sites in each case, contrary to recent molecular-cluster calculations. Incorporation of indium adatoms into surface substitutional sites by an exchange mechanism is unlikely at low temperatures except at one type of close-packed step on the Cu (111) surface. Condensation of indium adatoms into epitaxial clusters with square and trigonal symmetry at (001) and (111) surfaces, respectively, will occur at low temperatures, while clustering of surface substitutional indium atoms will not. 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