The influence of bond flexibility and molecular size on the chemically selective bonding of In2O and Ga2O on GaAs(001)-c(2×8)/(2×4)
Identifieur interne : 00A673 ( Main/Repository ); précédent : 00A672; suivant : 00A674The influence of bond flexibility and molecular size on the chemically selective bonding of In2O and Ga2O on GaAs(001)-c(2×8)/(2×4)
Auteurs : RBID : Pascal:04-0132915Descripteurs français
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- 3315D, 6835B, 6837E, 3115E, Etude expérimentale, Angle liaison, Longueur liaison, Configuration moléculaire, Indium composé, Gallium composé, Gallium arséniure, Epitaxie jet moléculaire, Morphologie surface, Méthode fonctionnelle densité, Sorption, Chimie surface, Cinétique réaction, Couche adsorbée.
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Abstract
The surface structures formed upon deposition of In2O and Ga2O by molecular beam epitaxy onto the arsenic-rich GaAs(001)-c(2×8)/(2×4) surface have been studied using scanning tunneling microscopy and density functional theory. In2O initially bonds, with indium atoms bonding to second layer gallium atoms within the trough, and proceeds to insert into or between first layer arsenic dimer pairs. In contrast, Ga2O only inserts into or between arsenic dimer pairs due to chemical site constraints. The calculated energy needed to bend a Ga2O molecule approximately 70°, so that it can fit into an arsenic dimer pair, is 0.6 eV less than that required for In2O. The greater flexibility of the Ga2O molecule causes its insertion site to be 0.77 eV more exothermic than the In2O insertion site. This result shows that although trends in the periodic table can be used to predict some surface reactions, small changes in atomic size can play a significant role in the chemistry of gas/surface reactions through the indirect effects of bond angle flexibility and bond length stiffness. © 2004 American Institute of Physics.
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Hale</name><affiliation wicri:level="2"><inist:fA14 i1="01"><s1>Department of Chemistry, 0358, University of California, San Diego, La Jolla, California 92093</s1><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, 0358, University of California, San Diego, La Jolla</wicri:cityArea></affiliation><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Department of Physics, ETH Zurich, 8093 Zurich, Switzerland</s1></inist:fA14><country xml:lang="fr">Suisse</country><wicri:regionArea>Department of Physics, ETH Zurich, 8093 Zurich</wicri:regionArea><wicri:noRegion>8093 Zurich</wicri:noRegion></affiliation><affiliation wicri:level="2"><inist:fA14 i1="03"><s1>Motorola Inc., Semiconductor Products Sector, Tempe, Arizona 85284</s1></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Arizona</region></placeName><wicri:cityArea>Motorola Inc., Semiconductor Products Sector, Tempe</wicri:cityArea></affiliation></author><author><name sortKey="Sexton, J Z" uniqKey="Sexton J">J. Z. Sexton</name><affiliation wicri:level="2"><inist:fA14 i1="01"><s1>Department of Chemistry, 0358, University of California, San Diego, La Jolla, California 92093</s1><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, 0358, University of California, San Diego, La Jolla</wicri:cityArea></affiliation></author><author><name sortKey="Winn, D L" uniqKey="Winn D">D. L. Winn</name><affiliation wicri:level="2"><inist:fA14 i1="01"><s1>Department of Chemistry, 0358, University of California, San Diego, La Jolla, California 92093</s1><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, 0358, University of California, San Diego, La Jolla</wicri:cityArea></affiliation></author><author><name sortKey="Kummel, A C" uniqKey="Kummel A">A. C. Kummel</name><affiliation wicri:level="2"><inist:fA14 i1="01"><s1>Department of Chemistry, 0358, University of California, San Diego, La Jolla, California 92093</s1><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, 0358, University of California, San Diego, La Jolla</wicri:cityArea></affiliation></author><author><name sortKey="Erbudak, M" uniqKey="Erbudak M">M. Erbudak</name><affiliation wicri:level="2"><inist:fA14 i1="01"><s1>Department of Chemistry, 0358, University of California, San Diego, La Jolla, California 92093</s1><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, 0358, University of California, San Diego, La Jolla</wicri:cityArea></affiliation></author><author><name sortKey="Passlack, M" uniqKey="Passlack M">M. Passlack</name><affiliation wicri:level="2"><inist:fA14 i1="01"><s1>Department of Chemistry, 0358, University of California, San Diego, La Jolla, California 92093</s1><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, 0358, University of California, San Diego, La Jolla</wicri:cityArea></affiliation></author></titleStmt><publicationStmt><idno type="inist">04-0132915</idno><date when="2004-03-22">2004-03-22</date><idno type="stanalyst">PASCAL 04-0132915 AIP</idno><idno type="RBID">Pascal:04-0132915</idno><idno type="wicri:Area/Main/Corpus">00BC91</idno><idno type="wicri:Area/Main/Repository">00A673</idno></publicationStmt><seriesStmt><idno type="ISSN">0021-9606</idno><title level="j" type="abbreviated">J. chem. phys.</title><title level="j" type="main">The Journal of chemical physics</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Adsorbed layers</term><term>Bond angle</term><term>Bond lengths</term><term>Density functional method</term><term>Experimental study</term><term>Gallium arsenides</term><term>Gallium compounds</term><term>Indium compounds</term><term>Molecular beam epitaxy</term><term>Molecular configurations</term><term>Reaction kinetics</term><term>Sorption</term><term>Surface chemistry</term><term>Surface morphology</term><term>scanning tunnelling microscopy</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>3315D</term><term>6835B</term><term>6837E</term><term>3115E</term><term>Etude expérimentale</term><term>Angle liaison</term><term>Longueur liaison</term><term>Configuration moléculaire</term><term>Indium composé</term><term>Gallium composé</term><term>Gallium arséniure</term><term>Epitaxie jet moléculaire</term><term>Morphologie surface</term><term>Méthode fonctionnelle densité</term><term>Sorption</term><term>Chimie surface</term><term>Cinétique réaction</term><term>Couche adsorbée</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The surface structures formed upon deposition of In<sub>2</sub>O and Ga<sub>2</sub>O by molecular beam epitaxy onto the arsenic-rich GaAs(001)-c(2×8)/(2×4) surface have been studied using scanning tunneling microscopy and density functional theory. In<sub>2</sub>O initially bonds, with indium atoms bonding to second layer gallium atoms within the trough, and proceeds to insert into or between first layer arsenic dimer pairs. In contrast, Ga<sub>2</sub>O only inserts into or between arsenic dimer pairs due to chemical site constraints. The calculated energy needed to bend a Ga<sub>2</sub>O molecule approximately 70°, so that it can fit into an arsenic dimer pair, is 0.6 eV less than that required for In<sub>2</sub>O. The greater flexibility of the Ga<sub>2</sub>O molecule causes its insertion site to be 0.77 eV more exothermic than the In<sub>2</sub>O insertion site. This result shows that although trends in the periodic table can be used to predict some surface reactions, small changes in atomic size can play a significant role in the chemistry of gas/surface reactions through the indirect effects of bond angle flexibility and bond length stiffness. © 2004 American Institute of Physics.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0021-9606</s0></fA01><fA02 i1="01"><s0>JCPSA6</s0></fA02><fA03 i2="1"><s0>J. chem. phys.</s0></fA03><fA05><s2>120</s2></fA05><fA06><s2>12</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>The influence of bond flexibility and molecular size on the chemically selective bonding of In<sub>2</sub>O and Ga<sub>2</sub>O on GaAs(001)-c(2×8)/(2×4)</s1></fA08><fA11 i1="01" i2="1"><s1>HALE (M. J.)</s1></fA11><fA11 i1="02" i2="1"><s1>SEXTON (J. Z.)</s1></fA11><fA11 i1="03" i2="1"><s1>WINN (D. L.)</s1></fA11><fA11 i1="04" i2="1"><s1>KUMMEL (A. C.)</s1></fA11><fA11 i1="05" i2="1"><s1>ERBUDAK (M.)</s1></fA11><fA11 i1="06" i2="1"><s1>PASSLACK (M.)</s1></fA11><fA14 i1="01"><s1>Department of Chemistry, 0358, University of California, San Diego, La Jolla, California 92093</s1><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></fA14><fA14 i1="02"><s1>Department of Physics, ETH Zurich, 8093 Zurich, Switzerland</s1></fA14><fA14 i1="03"><s1>Motorola Inc., Semiconductor Products Sector, Tempe, Arizona 85284</s1></fA14><fA20><s1>5745-5754</s1></fA20><fA21><s1>2004-03-22</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>127</s2></fA43><fA44><s0>8100</s0><s1>© 2004 American Institute of Physics. All rights reserved.</s1></fA44><fA47 i1="01" i2="1"><s0>04-0132915</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>The Journal of chemical physics</s0></fA64><fA66 i1="01"><s0>USA</s0></fA66><fC01 i1="01" l="ENG"><s0>The surface structures formed upon deposition of In<sub>2</sub>O and Ga<sub>2</sub>O by molecular beam epitaxy onto the arsenic-rich GaAs(001)-c(2×8)/(2×4) surface have been studied using scanning tunneling microscopy and density functional theory. In<sub>2</sub>O initially bonds, with indium atoms bonding to second layer gallium atoms within the trough, and proceeds to insert into or between first layer arsenic dimer pairs. In contrast, Ga<sub>2</sub>O only inserts into or between arsenic dimer pairs due to chemical site constraints. The calculated energy needed to bend a Ga<sub>2</sub>O molecule approximately 70°, so that it can fit into an arsenic dimer pair, is 0.6 eV less than that required for In<sub>2</sub>O. The greater flexibility of the Ga<sub>2</sub>O molecule causes its insertion site to be 0.77 eV more exothermic than the In<sub>2</sub>O insertion site. 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