IndiumV3, Main, Repository, bibRecord, 000571

Segregation of Impurities in GaAs and InAs Nanowires

Identifieur interne : 000571 ( Main/Repository ); précédent : 000570; suivant : 000572

Segregation of Impurities in GaAs and InAs Nanowires

Auteurs : RBID : Pascal:13-0365931

Descripteurs français

Pascal (Inist)
- Ségrégation impureté, Arséniure de gallium, Semiconducteur III-V, Composé III-V, Arséniure d'indium, Nanofil, Nanomatériau, Calcul ab initio, Méthode ab initio, Méthode fonctionnelle densité, Etude théorique, Chaleur formation, Dopage, Conductivité type n, Fil, Structure blende, Mécanisme croissance, Structure wurtzite, Impureté, Structure cristalline, Condition opératoire, Centre donneur, Centre accepteur, Or, 8107V, 8107B, 7115M, 6146.
Wicri :
- concept : Dopage, Fil, Or.

English descriptors

KwdEn :
- Ab initio calculations, Ab initio method, Acceptor center, Blende structure, Crystal structure, Density functional method, Donor center, Doping, Gallium arsenides, Gold, Growth mechanism, Heat of formation, III-V compound, III-V semiconductors, Impurities, Impurity segregation, Indium arsenides, N type conductivity, Nanostructured materials, Nanowires, Operating conditions, Theoretical study, Wires, Wurtzite structure.

Abstract

Using ab initio methods based on density functional theory, we investigate the segregation and formation energies for various dopants (Si, Be, Zn, and Sn) commonly used to obtain p- or n-type conductivity in GaAs and InAs nanowires. The distribution of Au and O atoms, which may be unintentionally incorporated during the wire growth, is also studied. The calculations performed for nanowires of zinc blende and wurtzite structure show that the distribution of most of the impurities depends on the crystal structure of the wires. For example, it is shown that the same growth conditions can lead to lower energy for Si substituting Ga (donor) in the wire of wurtzite structure and substituting As (acceptor) in the wire of zinc blende structure. In contrast, we obtain that gold and oxygen atoms should always tend to stay at the lateral surfaces of GaAs and InAs nanowires, whereas for beryllium the lowest energies are found when the impurities are located in sites in the center of the wurtzite wire or along the [101] axis from the surface to the center of the zinc blende wire. These results seem to be in agreement with some experimental findings.

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Pascal:13-0365931

Le document en format XML

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<author><name sortKey="Galicka, Marta" uniqKey="Galicka M">Marta Galicka</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46</s1>
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<author><name sortKey="Buczko, Ryszard" uniqKey="Buczko R">Ryszard Buczko</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46</s1>
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<author><name sortKey="Kacman, Perla" uniqKey="Kacman P">Perla Kacman</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46</s1>
<s2>02-668 Warsaw</s2>
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<seriesStmt><idno type="ISSN">1932-7447</idno>
<title level="j" type="abbreviated">J. phys. chem., C</title>
<title level="j" type="main">Journal of physical chemistry. C</title>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term>
<term>Ab initio method</term>
<term>Acceptor center</term>
<term>Blende structure</term>
<term>Crystal structure</term>
<term>Density functional method</term>
<term>Donor center</term>
<term>Doping</term>
<term>Gallium arsenides</term>
<term>Gold</term>
<term>Growth mechanism</term>
<term>Heat of formation</term>
<term>III-V compound</term>
<term>III-V semiconductors</term>
<term>Impurities</term>
<term>Impurity segregation</term>
<term>Indium arsenides</term>
<term>N type conductivity</term>
<term>Nanostructured materials</term>
<term>Nanowires</term>
<term>Operating conditions</term>
<term>Theoretical study</term>
<term>Wires</term>
<term>Wurtzite structure</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Ségrégation impureté</term>
<term>Arséniure de gallium</term>
<term>Semiconducteur III-V</term>
<term>Composé III-V</term>
<term>Arséniure d'indium</term>
<term>Nanofil</term>
<term>Nanomatériau</term>
<term>Calcul ab initio</term>
<term>Méthode ab initio</term>
<term>Méthode fonctionnelle densité</term>
<term>Etude théorique</term>
<term>Chaleur formation</term>
<term>Dopage</term>
<term>Conductivité type n</term>
<term>Fil</term>
<term>Structure blende</term>
<term>Mécanisme croissance</term>
<term>Structure wurtzite</term>
<term>Impureté</term>
<term>Structure cristalline</term>
<term>Condition opératoire</term>
<term>Centre donneur</term>
<term>Centre accepteur</term>
<term>Or</term>
<term>8107V</term>
<term>8107B</term>
<term>7115M</term>
<term>6146</term>
</keywords>
<keywords scheme="Wicri" type="concept" xml:lang="fr"><term>Dopage</term>
<term>Fil</term>
<term>Or</term>
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<front><div type="abstract" xml:lang="en">Using ab initio methods based on density functional theory, we investigate the segregation and formation energies for various dopants (Si, Be, Zn, and Sn) commonly used to obtain p- or n-type conductivity in GaAs and InAs nanowires. The distribution of Au and O atoms, which may be unintentionally incorporated during the wire growth, is also studied. The calculations performed for nanowires of zinc blende and wurtzite structure show that the distribution of most of the impurities depends on the crystal structure of the wires. For example, it is shown that the same growth conditions can lead to lower energy for Si substituting Ga (donor) in the wire of wurtzite structure and substituting As (acceptor) in the wire of zinc blende structure. In contrast, we obtain that gold and oxygen atoms should always tend to stay at the lateral surfaces of GaAs and InAs nanowires, whereas for beryllium the lowest energies are found when the impurities are located in sites in the center of the wurtzite wire or along the [101] axis from the surface to the center of the zinc blende wire. These results seem to be in agreement with some experimental findings.</div>
</front>
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<inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>1932-7447</s0>
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<fA08 i1="01" i2="1" l="ENG"><s1>Segregation of Impurities in GaAs and InAs Nanowires</s1>
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<fA11 i1="01" i2="1"><s1>GALICKA (Marta)</s1>
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<fA11 i1="02" i2="1"><s1>BUCZKO (Ryszard)</s1>
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<fA11 i1="03" i2="1"><s1>KACMAN (Perla)</s1>
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<fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46</s1>
<s2>02-668 Warsaw</s2>
<s3>POL</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
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<fC01 i1="01" l="ENG"><s0>Using ab initio methods based on density functional theory, we investigate the segregation and formation energies for various dopants (Si, Be, Zn, and Sn) commonly used to obtain p- or n-type conductivity in GaAs and InAs nanowires. The distribution of Au and O atoms, which may be unintentionally incorporated during the wire growth, is also studied. The calculations performed for nanowires of zinc blende and wurtzite structure show that the distribution of most of the impurities depends on the crystal structure of the wires. For example, it is shown that the same growth conditions can lead to lower energy for Si substituting Ga (donor) in the wire of wurtzite structure and substituting As (acceptor) in the wire of zinc blende structure. In contrast, we obtain that gold and oxygen atoms should always tend to stay at the lateral surfaces of GaAs and InAs nanowires, whereas for beryllium the lowest energies are found when the impurities are located in sites in the center of the wurtzite wire or along the [101] axis from the surface to the center of the zinc blende wire. These results seem to be in agreement with some experimental findings.</s0>
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<s5>04</s5>
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<s5>13</s5>
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<s5>13</s5>
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<s5>13</s5>
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<s5>14</s5>
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<s5>14</s5>
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<fC03 i1="14" i2="X" l="SPA"><s0>Conductividad tipo n</s0>
<s5>14</s5>
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<s5>15</s5>
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<s5>15</s5>
</fC03>
<fC03 i1="16" i2="X" l="FRE"><s0>Structure blende</s0>
<s5>16</s5>
</fC03>
<fC03 i1="16" i2="X" l="ENG"><s0>Blende structure</s0>
<s5>16</s5>
</fC03>
<fC03 i1="16" i2="X" l="SPA"><s0>Estructura blenda</s0>
<s5>16</s5>
</fC03>
<fC03 i1="17" i2="X" l="FRE"><s0>Mécanisme croissance</s0>
<s5>29</s5>
</fC03>
<fC03 i1="17" i2="X" l="ENG"><s0>Growth mechanism</s0>
<s5>29</s5>
</fC03>
<fC03 i1="17" i2="X" l="SPA"><s0>Mecanismo crecimiento</s0>
<s5>29</s5>
</fC03>
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<s5>30</s5>
</fC03>
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<s5>30</s5>
</fC03>
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<s5>30</s5>
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<s5>31</s5>
</fC03>
<fC03 i1="19" i2="3" l="ENG"><s0>Impurities</s0>
<s5>31</s5>
</fC03>
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<s5>32</s5>
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<s5>32</s5>
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<s5>33</s5>
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<s5>33</s5>
</fC03>
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<s5>33</s5>
</fC03>
<fC03 i1="22" i2="X" l="FRE"><s0>Centre donneur</s0>
<s5>34</s5>
</fC03>
<fC03 i1="22" i2="X" l="ENG"><s0>Donor center</s0>
<s5>34</s5>
</fC03>
<fC03 i1="22" i2="X" l="SPA"><s0>Centro dador</s0>
<s5>34</s5>
</fC03>
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<s5>35</s5>
</fC03>
<fC03 i1="23" i2="X" l="ENG"><s0>Acceptor center</s0>
<s5>35</s5>
</fC03>
<fC03 i1="23" i2="X" l="SPA"><s0>Centro aceptor</s0>
<s5>35</s5>
</fC03>
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<s2>NC</s2>
<s5>36</s5>
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<s2>NC</s2>
<s5>36</s5>
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<s4>INC</s4>
<s5>72</s5>
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<fC03 i1="27" i2="3" l="FRE"><s0>7115M</s0>
<s4>INC</s4>
<s5>73</s5>
</fC03>
<fC03 i1="28" i2="3" l="FRE"><s0>6146</s0>
<s4>INC</s4>
<s5>74</s5>
</fC03>
<fN21><s1>343</s1>
</fN21>
<fN44 i1="01"><s1>OTO</s1>
</fN44>
<fN82><s1>OTO</s1>
</fN82>
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Segregation of Impurities in GaAs and InAs Nanowires

Segregation of Impurities in GaAs and InAs Nanowires

Descripteurs français

English descriptors

Abstract

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Le document en format XML

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