Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences
Main Author: | |
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Publication Date: | 2004 |
Other Authors: | , , |
Format: | Article |
Language: | eng |
Source: | Brazilian Journal of Physics |
Download full: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332004000400019 |
Summary: | We performed the first-principles band-structure calculations for a pure and a Cd-doped AgInO2 delafossite compound. The results are carefully analyzed and compared with the results obtained for a pure and a Cd-doped CuAlO2 compound, calculated previously by our group. The electronic structures of both systems are found to be similar in many details, being characterized by the same hybridization scheme that occurs at both Cu and Ag positions. Introduction of Cd impurity into the Cu site produces a shallow band within the CuAlO2 gap, while the Cd presence at the Ag site creates a wide band pinned at the Fermi level in the AgInO2 spectrum. In both cases, however, the n-type conductivities are predicted. |
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Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differencesWe performed the first-principles band-structure calculations for a pure and a Cd-doped AgInO2 delafossite compound. The results are carefully analyzed and compared with the results obtained for a pure and a Cd-doped CuAlO2 compound, calculated previously by our group. The electronic structures of both systems are found to be similar in many details, being characterized by the same hybridization scheme that occurs at both Cu and Ag positions. Introduction of Cd impurity into the Cu site produces a shallow band within the CuAlO2 gap, while the Cd presence at the Ag site creates a wide band pinned at the Fermi level in the AgInO2 spectrum. In both cases, however, the n-type conductivities are predicted.Sociedade Brasileira de Física2004-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332004000400019Brazilian Journal of Physics v.34 n.2b 2004reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332004000400019info:eu-repo/semantics/openAccessLalic,M. V.Mestnik-Filho,J.Carbonari,A. W.Saxena,R. N.eng2004-08-31T00:00:00Zoai:scielo:S0103-97332004000400019Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2004-08-31T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false |
dc.title.none.fl_str_mv |
Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences |
title |
Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences |
spellingShingle |
Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences Lalic,M. V. |
title_short |
Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences |
title_full |
Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences |
title_fullStr |
Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences |
title_full_unstemmed |
Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences |
title_sort |
Electronic structure of the n-type doped AgInO2 and CuAlO2 delafossites: similarities and differences |
author |
Lalic,M. V. |
author_facet |
Lalic,M. V. Mestnik-Filho,J. Carbonari,A. W. Saxena,R. N. |
author_role |
author |
author2 |
Mestnik-Filho,J. Carbonari,A. W. Saxena,R. N. |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Lalic,M. V. Mestnik-Filho,J. Carbonari,A. W. Saxena,R. N. |
description |
We performed the first-principles band-structure calculations for a pure and a Cd-doped AgInO2 delafossite compound. The results are carefully analyzed and compared with the results obtained for a pure and a Cd-doped CuAlO2 compound, calculated previously by our group. The electronic structures of both systems are found to be similar in many details, being characterized by the same hybridization scheme that occurs at both Cu and Ag positions. Introduction of Cd impurity into the Cu site produces a shallow band within the CuAlO2 gap, while the Cd presence at the Ag site creates a wide band pinned at the Fermi level in the AgInO2 spectrum. In both cases, however, the n-type conductivities are predicted. |
publishDate |
2004 |
dc.date.none.fl_str_mv |
2004-06-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332004000400019 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332004000400019 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/S0103-97332004000400019 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Sociedade Brasileira de Física |
publisher.none.fl_str_mv |
Sociedade Brasileira de Física |
dc.source.none.fl_str_mv |
Brazilian Journal of Physics v.34 n.2b 2004 reponame:Brazilian Journal of Physics instname:Sociedade Brasileira de Física (SBF) instacron:SBF |
instname_str |
Sociedade Brasileira de Física (SBF) |
instacron_str |
SBF |
institution |
SBF |
reponame_str |
Brazilian Journal of Physics |
collection |
Brazilian Journal of Physics |
repository.name.fl_str_mv |
Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF) |
repository.mail.fl_str_mv |
sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br |
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1754734860831817728 |