Triple-period partial misfit dislocations at the InN/GaN (0001) interface: A new dislocation core structure for III-N materials
Identifieur interne : 001308 ( Main/Repository ); précédent : 001307; suivant : 001309Triple-period partial misfit dislocations at the InN/GaN (0001) interface: A new dislocation core structure for III-N materials
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Abstract
The lattice-misfit InN/GaN (0001 ) interface supports a triangular network of α-core 90° partial misfit dislocations. These misfit dislocations provide excellent strain relief. However, in their unreconstructed form the dislocation contains numerous high-energy N dangling bonds, which must be eliminated by reconstructing the dislocation core. Existing single-period (SP) and double-period (DP) dislocation reconstruction models eliminate these dangling bonds via a like-atom dimerization, such as N-N dimers. However, we show that these N-N dimers are unstable for the III-N materials, so an entirely new reconstruction mechanism is needed. A "triple-period" (TP) structural model is developed which eliminates N dangling bonds via the formation of N vacancies instead of N-N dimers. The model contains no N-N (or III-III) bonds, fully bonds all N atoms to four group-III neighboring atoms, and satisfies the "electron counting rule" by transferring charge from In dangling bonds to Ga dangling bonds.
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Triple-period partial misfit dislocations at the InN/GaN (0001) interface: A new dislocation core structure for III-N materials</title><author><name>LIXIN ZHANG</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>National Renewable Energy Laboratory</s1><s2>Golden, CO 80401</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>National Renewable Energy Laboratory</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Department of Physics, Nankai University</s1><s3>CHN</s3><sZ>1 aut.</sZ></inist:fA14><country>République populaire de Chine</country><wicri:noRegion>Department of Physics, Nankai University</wicri:noRegion></affiliation></author><author><name sortKey="Mcmahon, W E" uniqKey="Mcmahon W">W. E. Mcmahon</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>National Renewable Energy Laboratory</s1><s2>Golden, CO 80401</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>National Renewable Energy Laboratory</wicri:noRegion></affiliation></author><author><name sortKey="Liu, Y" uniqKey="Liu Y">Y. Liu</name><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>Department of Physics, University of Hong Kong</s1><s3>HKG</s3><sZ>3 aut.</sZ><sZ>5 aut.</sZ></inist:fA14><country>Hong Kong</country><wicri:noRegion>Department of Physics, University of Hong Kong</wicri:noRegion></affiliation></author><author><name sortKey="Cai, Y" uniqKey="Cai Y">Y. Cai</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Department of Physics, Hong Kong University of Science and Technology</s1><s3>HKG</s3><sZ>4 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Hong Kong</country><wicri:noRegion>Department of Physics, Hong Kong University of Science and Technology</wicri:noRegion></affiliation></author><author><name sortKey="Xie, M H" uniqKey="Xie M">M. H. Xie</name><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>Department of Physics, University of Hong Kong</s1><s3>HKG</s3><sZ>3 aut.</sZ><sZ>5 aut.</sZ></inist:fA14><country>Hong Kong</country><wicri:noRegion>Department of Physics, University of Hong Kong</wicri:noRegion></affiliation></author><author><name sortKey="Wang, N" uniqKey="Wang N">N. Wang</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Department of Physics, Hong Kong University of Science and Technology</s1><s3>HKG</s3><sZ>4 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Hong Kong</country><wicri:noRegion>Department of Physics, Hong Kong University of Science and Technology</wicri:noRegion></affiliation></author><author><name sortKey="Zhang, S B" uniqKey="Zhang S">S. B. Zhang</name><affiliation wicri:level="1"><inist:fA14 i1="05"><s1>Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute</s1><s2>Troy, NY 12180</s2><s3>USA</s3><sZ>7 aut.</sZ></inist:fA14><country>États-Unis</country><wicri:noRegion>Troy, NY 12180</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="inist">12-0455761</idno><date when="2012">2012</date><idno type="stanalyst">PASCAL 12-0455761 INIST</idno><idno type="RBID">Pascal:12-0455761</idno><idno type="wicri:Area/Main/Corpus">001534</idno><idno type="wicri:Area/Main/Repository">001308</idno></publicationStmt><seriesStmt><idno type="ISSN">0039-6028</idno><title level="j" type="abbreviated">Surf. sci.</title><title level="j" type="main">Surface science</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term><term>Dislocation core</term><term>Dislocation structure</term><term>Gallium nitride</term><term>Indium nitride</term><term>Inorganic compounds</term><term>Misfit dislocations</term><term>Partial dislocation</term><term>Scanning tunneling microscopy</term><term>Semiconductor materials</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Dislocation imparfaite</term><term>Dislocation interfaciale</term><term>Coeur dislocation</term><term>Structure dislocation</term><term>Calcul ab initio</term><term>Microscopie tunnel balayage</term><term>Nitrure d'indium</term><term>Semiconducteur</term><term>Nitrure de gallium</term><term>In N</term><term>InN</term><term>Ga N</term><term>GaN</term><term>Composé minéral</term></keywords><keywords scheme="Wicri" type="concept" xml:lang="fr"><term>Composé minéral</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The lattice-misfit InN/GaN (0001 ) interface supports a triangular network of α-core 90° partial misfit dislocations. These misfit dislocations provide excellent strain relief. However, in their unreconstructed form the dislocation contains numerous high-energy N dangling bonds, which must be eliminated by reconstructing the dislocation core. Existing single-period (SP) and double-period (DP) dislocation reconstruction models eliminate these dangling bonds via a like-atom dimerization, such as N-N dimers. However, we show that these N-N dimers are unstable for the III-N materials, so an entirely new reconstruction mechanism is needed. A "triple-period" (TP) structural model is developed which eliminates N dangling bonds via the formation of N vacancies instead of N-N dimers. The model contains no N-N (or III-III) bonds, fully bonds all N atoms to four group-III neighboring atoms, and satisfies the "elec<sub>t</sub>ron counting rule" by transferring charge from In dangling bonds to Ga dangling bonds.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0039-6028</s0></fA01><fA02 i1="01"><s0>SUSCAS</s0></fA02><fA03 i2="1"><s0>Surf. sci.</s0></fA03><fA05><s2>606</s2></fA05><fA06><s2>21-22</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Triple-period partial misfit dislocations at the InN/GaN (0001) interface: A new dislocation core structure for III-N materials</s1></fA08><fA11 i1="01" i2="1"><s1>LIXIN ZHANG</s1></fA11><fA11 i1="02" i2="1"><s1>MCMAHON (W. E.)</s1></fA11><fA11 i1="03" i2="1"><s1>LIU (Y.)</s1></fA11><fA11 i1="04" i2="1"><s1>CAI (Y.)</s1></fA11><fA11 i1="05" i2="1"><s1>XIE (M. H.)</s1></fA11><fA11 i1="06" i2="1"><s1>WANG (N.)</s1></fA11><fA11 i1="07" i2="1"><s1>ZHANG (S. B.)</s1></fA11><fA14 i1="01"><s1>National Renewable Energy Laboratory</s1><s2>Golden, CO 80401</s2><s3>USA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ></fA14><fA14 i1="02"><s1>Department of Physics, Nankai University</s1><s3>CHN</s3><sZ>1 aut.</sZ></fA14><fA14 i1="03"><s1>Department of Physics, University of Hong Kong</s1><s3>HKG</s3><sZ>3 aut.</sZ><sZ>5 aut.</sZ></fA14><fA14 i1="04"><s1>Department of Physics, Hong Kong University of Science and Technology</s1><s3>HKG</s3><sZ>4 aut.</sZ><sZ>6 aut.</sZ></fA14><fA14 i1="05"><s1>Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute</s1><s2>Troy, NY 12180</s2><s3>USA</s3><sZ>7 aut.</sZ></fA14><fA20><s1>1728-1738</s1></fA20><fA21><s1>2012</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>12426</s2><s5>354000502006670240</s5></fA43><fA44><s0>0000</s0><s1>© 2012 INIST-CNRS. All rights reserved.</s1></fA44><fA45><s0>28 ref.</s0></fA45><fA47 i1="01" i2="1"><s0>12-0455761</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>Surface science</s0></fA64><fA66 i1="01"><s0>GBR</s0></fA66><fC01 i1="01" l="ENG"><s0>The lattice-misfit InN/GaN (0001 ) interface supports a triangular network of α-core 90° partial misfit dislocations. These misfit dislocations provide excellent strain relief. However, in their unreconstructed form the dislocation contains numerous high-energy N dangling bonds, which must be eliminated by reconstructing the dislocation core. Existing single-period (SP) and double-period (DP) dislocation reconstruction models eliminate these dangling bonds via a like-atom dimerization, such as N-N dimers. However, we show that these N-N dimers are unstable for the III-N materials, so an entirely new reconstruction mechanism is needed. A "triple-period" (TP) structural model is developed which eliminates N dangling bonds via the formation of N vacancies instead of N-N dimers. The model contains no N-N (or III-III) bonds, fully bonds all N atoms to four group-III neighboring atoms, and satisfies the "elec<sub>t</sub>ron counting rule" by transferring charge from In dangling bonds to Ga dangling bonds.</s0></fC01><fC02 i1="01" i2="3"><s0>001B60</s0></fC02><fC02 i1="02" i2="3"><s0>001B70</s0></fC02><fC02 i1="03" i2="3"><s0>001B80</s0></fC02><fC03 i1="01" i2="X" l="FRE"><s0>Dislocation imparfaite</s0><s5>01</s5></fC03><fC03 i1="01" i2="X" l="ENG"><s0>Partial dislocation</s0><s5>01</s5></fC03><fC03 i1="01" i2="X" l="SPA"><s0>Dislocación imperfecta</s0><s5>01</s5></fC03><fC03 i1="02" i2="3" l="FRE"><s0>Dislocation interfaciale</s0><s5>02</s5></fC03><fC03 i1="02" i2="3" l="ENG"><s0>Misfit dislocations</s0><s5>02</s5></fC03><fC03 i1="03" i2="X" l="FRE"><s0>Coeur dislocation</s0><s5>03</s5></fC03><fC03 i1="03" i2="X" l="ENG"><s0>Dislocation core</s0><s5>03</s5></fC03><fC03 i1="03" i2="X" l="SPA"><s0>Centro dislocación</s0><s5>03</s5></fC03><fC03 i1="04" i2="3" l="FRE"><s0>Structure dislocation</s0><s5>04</s5></fC03><fC03 i1="04" i2="3" l="ENG"><s0>Dislocation structure</s0><s5>04</s5></fC03><fC03 i1="05" i2="3" l="FRE"><s0>Calcul ab initio</s0><s5>05</s5></fC03><fC03 i1="05" i2="3" l="ENG"><s0>Ab initio calculations</s0><s5>05</s5></fC03><fC03 i1="06" i2="3" l="FRE"><s0>Microscopie tunnel balayage</s0><s5>06</s5></fC03><fC03 i1="06" i2="3" l="ENG"><s0>Scanning tunneling microscopy</s0><s5>06</s5></fC03><fC03 i1="07" i2="X" l="FRE"><s0>Nitrure d'indium</s0><s5>15</s5></fC03><fC03 i1="07" i2="X" l="ENG"><s0>Indium nitride</s0><s5>15</s5></fC03><fC03 i1="07" i2="X" l="SPA"><s0>Indio nitruro</s0><s5>15</s5></fC03><fC03 i1="08" i2="3" l="FRE"><s0>Semiconducteur</s0><s5>16</s5></fC03><fC03 i1="08" i2="3" l="ENG"><s0>Semiconductor materials</s0><s5>16</s5></fC03><fC03 i1="09" i2="X" l="FRE"><s0>Nitrure de gallium</s0><s5>17</s5></fC03><fC03 i1="09" i2="X" l="ENG"><s0>Gallium nitride</s0><s5>17</s5></fC03><fC03 i1="09" i2="X" l="SPA"><s0>Galio nitruro</s0><s5>17</s5></fC03><fC03 i1="10" i2="3" l="FRE"><s0>In N</s0><s4>INC</s4><s5>32</s5></fC03><fC03 i1="11" i2="3" l="FRE"><s0>InN</s0><s4>INC</s4><s5>33</s5></fC03><fC03 i1="12" i2="3" l="FRE"><s0>Ga N</s0><s4>INC</s4><s5>34</s5></fC03><fC03 i1="13" i2="3" l="FRE"><s0>GaN</s0><s4>INC</s4><s5>35</s5></fC03><fC03 i1="14" i2="3" l="FRE"><s0>Composé minéral</s0><s5>62</s5></fC03><fC03 i1="14" i2="3" l="ENG"><s0>Inorganic compounds</s0><s5>62</s5></fC03><fN21><s1>353</s1></fN21><fN44 i1="01"><s1>OTO</s1></fN44><fN82><s1>OTO</s1></fN82></pA></standard></inist></record>Pour manipuler ce document sous Unix (Dilib)
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