Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP.
Identifieur interne : 000735 ( Main/Exploration ); précédent : 000734; suivant : 000736Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP.
Auteurs : RBID : pubmed:23364241English descriptors
- KwdEn :
- MESH :
- chemical , chemistry : Indium, Phosphines, Zinc.
- chemistry : Nanostructures.
- Computer Simulation, Electronics, Models, Chemical, Nanotubes, Carbon.
Abstract
Unlike graphene, a hexagonal InP sheet (HInPS) cannot be obtained by mechanical exfoliation from the native bulk InP, which crystallizes in the zinc blende structure under ambient conditions. However, by ab initio density functional theory calculations we found that a slightly buckled HInPS is stable both in pristine form and when doped with Zn atoms; the same occurred for hydrogen-passivated zigzag InP nanoribbons (ZInPNRs), quasi-one-dimensional versions of the quasi-two-dimensional material. We investigated the electronic properties of both nanostructures, in the latter case also in the presence of an external transverse electric field, and the results are compared with those of hypothetical planar HInPS and ZInPNRs. The band gaps of planar ZInPNRs were found to be tunable by the choice of strength of this field, and to show an asymmetric behavior under weak electric fields, by which the gap can either be increased or decreased depending on their direction; however, this effect is absent from slightly buckled ZInPNRs. The binding energies of the acceptor impurity states of Zn-doped HInPS and ZInPNRs were found to be similar and much larger than that of Zn-doped bulk InP. These latter findings show that the reduction of the dimensionality of these materials limits the presence of free carriers.
DOI: 10.1088/0953-8984/25/8/085506
PubMed: 23364241
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP.</title><author><name sortKey="Longo, R C" uniqKey="Longo R">R C Longo</name><affiliation wicri:level="1"><nlm:affiliation>Departamento de Física de la Materia Condensada, Facultad de Física, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela, Spain. robertocarlos.longo@usc.es</nlm:affiliation><country xml:lang="fr">Espagne</country><wicri:regionArea>Departamento de Física de la Materia Condensada, Facultad de Física, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela</wicri:regionArea></affiliation></author><author><name sortKey="Carrete, J" uniqKey="Carrete J">J Carrete</name></author><author><name sortKey="Alemany, M M G" uniqKey="Alemany M">M M G Alemany</name></author><author><name sortKey="Gallego, L J" uniqKey="Gallego L">L J Gallego</name></author></titleStmt><publicationStmt><date when="2013">2013</date><idno type="doi">10.1088/0953-8984/25/8/085506</idno><idno type="RBID">pubmed:23364241</idno><idno type="pmid">23364241</idno><idno type="wicri:Area/Main/Corpus">000828</idno><idno type="wicri:Area/Main/Curation">000828</idno><idno type="wicri:Area/Main/Exploration">000735</idno></publicationStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Computer Simulation</term><term>Electronics</term><term>Indium (chemistry)</term><term>Models, Chemical</term><term>Nanostructures (chemistry)</term><term>Nanotubes, Carbon</term><term>Phosphines (chemistry)</term><term>Zinc (chemistry)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Indium</term><term>Phosphines</term><term>Zinc</term></keywords><keywords scheme="MESH" qualifier="chemistry" xml:lang="en"><term>Nanostructures</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Computer Simulation</term><term>Electronics</term><term>Models, Chemical</term><term>Nanotubes, Carbon</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Unlike graphene, a hexagonal InP sheet (HInPS) cannot be obtained by mechanical exfoliation from the native bulk InP, which crystallizes in the zinc blende structure under ambient conditions. However, by ab initio density functional theory calculations we found that a slightly buckled HInPS is stable both in pristine form and when doped with Zn atoms; the same occurred for hydrogen-passivated zigzag InP nanoribbons (ZInPNRs), quasi-one-dimensional versions of the quasi-two-dimensional material. We investigated the electronic properties of both nanostructures, in the latter case also in the presence of an external transverse electric field, and the results are compared with those of hypothetical planar HInPS and ZInPNRs. The band gaps of planar ZInPNRs were found to be tunable by the choice of strength of this field, and to show an asymmetric behavior under weak electric fields, by which the gap can either be increased or decreased depending on their direction; however, this effect is absent from slightly buckled ZInPNRs. The binding energies of the acceptor impurity states of Zn-doped HInPS and ZInPNRs were found to be similar and much larger than that of Zn-doped bulk InP. These latter findings show that the reduction of the dimensionality of these materials limits the presence of free carriers.</div></front></TEI><pubmed><MedlineCitation Owner="NLM" Status="MEDLINE"><PMID Version="1">23364241</PMID><DateCreated><Year>2013</Year><Month>02</Month><Day>04</Day></DateCreated><DateCompleted><Year>2013</Year><Month>07</Month><Day>09</Day></DateCompleted><DateRevised><Year>2013</Year><Month>11</Month><Day>21</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1361-648X</ISSN><JournalIssue CitedMedium="Internet"><Volume>25</Volume><Issue>8</Issue><PubDate><Year>2013</Year><Month>Feb</Month><Day>27</Day></PubDate></JournalIssue><Title>Journal of physics. Condensed matter : an Institute of Physics journal</Title><ISOAbbreviation>J Phys Condens Matter</ISOAbbreviation></Journal><ArticleTitle>Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP.</ArticleTitle><Pagination><MedlinePgn>085506</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1088/0953-8984/25/8/085506</ELocationID><Abstract><AbstractText>Unlike graphene, a hexagonal InP sheet (HInPS) cannot be obtained by mechanical exfoliation from the native bulk InP, which crystallizes in the zinc blende structure under ambient conditions. However, by ab initio density functional theory calculations we found that a slightly buckled HInPS is stable both in pristine form and when doped with Zn atoms; the same occurred for hydrogen-passivated zigzag InP nanoribbons (ZInPNRs), quasi-one-dimensional versions of the quasi-two-dimensional material. We investigated the electronic properties of both nanostructures, in the latter case also in the presence of an external transverse electric field, and the results are compared with those of hypothetical planar HInPS and ZInPNRs. The band gaps of planar ZInPNRs were found to be tunable by the choice of strength of this field, and to show an asymmetric behavior under weak electric fields, by which the gap can either be increased or decreased depending on their direction; however, this effect is absent from slightly buckled ZInPNRs. The binding energies of the acceptor impurity states of Zn-doped HInPS and ZInPNRs were found to be similar and much larger than that of Zn-doped bulk InP. These latter findings show that the reduction of the dimensionality of these materials limits the presence of free carriers.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Longo</LastName><ForeName>R C</ForeName><Initials>RC</Initials><Affiliation>Departamento de Física de la Materia Condensada, Facultad de Física, Universidad de Santiago de Compostela, E-15782 Santiago de Compostela, Spain. robertocarlos.longo@usc.es</Affiliation></Author><Author ValidYN="Y"><LastName>Carrete</LastName><ForeName>J</ForeName><Initials>J</Initials></Author><Author ValidYN="Y"><LastName>Alemany</LastName><ForeName>M M G</ForeName><Initials>MM</Initials></Author><Author ValidYN="Y"><LastName>Gallego</LastName><ForeName>L J</ForeName><Initials>LJ</Initials></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType>Journal Article</PublicationType><PublicationType>Research Support, Non-U.S. Gov't</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2013</Year><Month>01</Month><Day>30</Day></ArticleDate></Article><MedlineJournalInfo><Country>England</Country><MedlineTA>J Phys Condens Matter</MedlineTA><NlmUniqueID>101165248</NlmUniqueID><ISSNLinking>0953-8984</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance>Nanotubes, Carbon</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance>Phosphines</NameOfSubstance></Chemical><Chemical><RegistryNumber>045A6V3VFX</RegistryNumber><NameOfSubstance>Indium</NameOfSubstance></Chemical><Chemical><RegistryNumber>22398-80-7</RegistryNumber><NameOfSubstance>indium phosphide</NameOfSubstance></Chemical><Chemical><RegistryNumber>J41CSQ7QDS</RegistryNumber><NameOfSubstance>Zinc</NameOfSubstance></Chemical></ChemicalList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName MajorTopicYN="N">Computer Simulation</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="Y">Electronics</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N">Indium</DescriptorName><QualifierName MajorTopicYN="Y">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N">Models, Chemical</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N">Nanostructures</DescriptorName><QualifierName MajorTopicYN="Y">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="Y">Nanotubes, Carbon</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N">Phosphines</DescriptorName><QualifierName MajorTopicYN="Y">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N">Zinc</DescriptorName><QualifierName MajorTopicYN="Y">chemistry</QualifierName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="aheadofprint"><Year>2013</Year><Month>1</Month><Day>30</Day></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2013</Year><Month>2</Month><Day>1</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2013</Year><Month>2</Month><Day>1</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2013</Year><Month>7</Month><Day>10</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="doi">10.1088/0953-8984/25/8/085506</ArticleId><ArticleId IdType="pubmed">23364241</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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