Electronic Structure of the n-Type Doped AgInO2 and CuAlO2 Delafossites: Similarities and Differences
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| Format: | Artículo científico |
| Language: | en |
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Sociedade Brasileira de Física
2004
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| author | R.N. Saxena |
| author_facet | R.N. Saxena |
| contents | Electronic Structure of the n-Type Doped AgInO2 and CuAlO2 Delafossites: Similarities and Differences R.N. Saxena A.W. Carbonari M. V. Lalic J. Filho Mestnik Física, Astronomía y Matemáticas We performed the first-principles band-structure calculations for a pure and a Cd-doped AgInO2 delafossitecompound. The results are carefully analyzed and compared with the results obtained for a pure and a CddopedCuAlO2 compound, calculated previously by our group. The electronic structures of both systems arefound to be similar in many details, being characterized by the same hybridization scheme that occurs at bothCu and Ag positions. Introduction of Cd impurity into the Cu site produces a shallow band within the CuAlO2gap, 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. 2004 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46434418 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2B Vol.34 |
| format | Artículo científico |
| id | redalyc_46434418 |
| institution | Redalyc |
| language | en |
| publishDate | 2004 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Electronic Structure of the n-Type Doped AgInO2 and CuAlO2 Delafossites: Similarities and Differences R.N. Saxena Física, Astronomía y Matemáticas Electronic Structure of the n-Type Doped AgInO2 and CuAlO2 Delafossites: Similarities and Differences R.N. Saxena A.W. Carbonari M. V. Lalic J. Filho Mestnik Física, Astronomía y Matemáticas We performed the first-principles band-structure calculations for a pure and a Cd-doped AgInO2 delafossitecompound. The results are carefully analyzed and compared with the results obtained for a pure and a CddopedCuAlO2 compound, calculated previously by our group. The electronic structures of both systems arefound to be similar in many details, being characterized by the same hybridization scheme that occurs at bothCu and Ag positions. Introduction of Cd impurity into the Cu site produces a shallow band within the CuAlO2gap, 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. 2004 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46434418 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2B Vol.34 |
| title | Electronic Structure of the n-Type Doped AgInO2 and CuAlO2 Delafossites: Similarities and Differences |
| topic | Física, Astronomía y Matemáticas |
| url | https://www.redalyc.org/articulo.oa?id=46434418 |