Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) Interface
Structural and electronic properties of the interface between α-Al2O3 (0001) and GaN (0001) surfaces are investigated through ab initio calculations within the density functional theory. Two different structural models have been investigated interface N(Ga)-terminated. The interface N-terminated GaN...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Wiley
2015-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2015/469487 |
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| _version_ | 1832566987076665344 |
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| author | M. B. Pereira E. M. Diniz S. Guerini |
| author_facet | M. B. Pereira E. M. Diniz S. Guerini |
| author_sort | M. B. Pereira |
| collection | DOAJ |
| description | Structural and electronic properties of the interface between α-Al2O3 (0001) and GaN (0001) surfaces are investigated through ab initio calculations within the density functional theory. Two different structural models have been investigated interface N(Ga)-terminated. The interface N-terminated GaN surface seems to exhibit the lowest formation energy. The studied interface models are metallic, with the levels at energy spatially confined in the interface region. Our calculations show strong hybridization between atoms in the interface region. |
| format | Article |
| id | doaj-art-bc3a1d4d20c14236b94a29610463635a |
| institution | Kabale University |
| issn | 1687-8108 1687-8124 |
| language | English |
| publishDate | 2015-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-bc3a1d4d20c14236b94a29610463635a2025-02-03T01:02:40ZengWileyAdvances in Condensed Matter Physics1687-81081687-81242015-01-01201510.1155/2015/469487469487Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) InterfaceM. B. Pereira0E. M. Diniz1S. Guerini2Departamento de Física, Universidade Federal do Maranhão, 65080-805 São Luís, MA, BrazilDepartamento de Física, Universidade Federal do Maranhão, 65080-805 São Luís, MA, BrazilDepartamento de Física, Universidade Federal do Maranhão, 65080-805 São Luís, MA, BrazilStructural and electronic properties of the interface between α-Al2O3 (0001) and GaN (0001) surfaces are investigated through ab initio calculations within the density functional theory. Two different structural models have been investigated interface N(Ga)-terminated. The interface N-terminated GaN surface seems to exhibit the lowest formation energy. The studied interface models are metallic, with the levels at energy spatially confined in the interface region. Our calculations show strong hybridization between atoms in the interface region.http://dx.doi.org/10.1155/2015/469487 |
| spellingShingle | M. B. Pereira E. M. Diniz S. Guerini Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) Interface Advances in Condensed Matter Physics |
| title | Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) Interface |
| title_full | Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) Interface |
| title_fullStr | Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) Interface |
| title_full_unstemmed | Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) Interface |
| title_short | Structural and Electronic Properties of GaN (0001)/α-Al2O3 (0001) Interface |
| title_sort | structural and electronic properties of gan 0001 α al2o3 0001 interface |
| url | http://dx.doi.org/10.1155/2015/469487 |
| work_keys_str_mv | AT mbpereira structuralandelectronicpropertiesofgan0001aal2o30001interface AT emdiniz structuralandelectronicpropertiesofgan0001aal2o30001interface AT sguerini structuralandelectronicpropertiesofgan0001aal2o30001interface |