Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO
ABSTRACT: The doping response of the prototypical transparent oxides NiO (p-type), ZnO (n-type), and MgO (insulating) is caused by spontaneous formation of compensating centers, leading to Fermi-level pinning at critical Fermi energies. We study the doping principles in these oxides by first-princip...
- Autores:
-
Lany, Stephan
Osorio Guillén, Jorge Mario
Zunger, Alex
- Tipo de recurso:
- Article of investigation
- Fecha de publicación:
- 2007
- Institución:
- Universidad de Antioquia
- Repositorio:
- Repositorio UdeA
- Idioma:
- eng
- OAI Identifier:
- oai:bibliotecadigital.udea.edu.co:10495/8384
- Acceso en línea:
- http://hdl.handle.net/10495/8384
- Palabra clave:
- Asimetría
Dopaje (Semiconductores)
Electrones
Óxidos
- Rights
- openAccess
- License
- Atribución-NoComercial-SinDerivadas 2.5 Colombia
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Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO |
| title |
Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO |
| spellingShingle |
Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO Asimetría Dopaje (Semiconductores) Electrones Óxidos |
| title_short |
Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO |
| title_full |
Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO |
| title_fullStr |
Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO |
| title_full_unstemmed |
Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO |
| title_sort |
Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO |
| dc.creator.fl_str_mv |
Lany, Stephan Osorio Guillén, Jorge Mario Zunger, Alex |
| dc.contributor.author.none.fl_str_mv |
Lany, Stephan Osorio Guillén, Jorge Mario Zunger, Alex |
| dc.subject.none.fl_str_mv |
Asimetría Dopaje (Semiconductores) Electrones Óxidos |
| topic |
Asimetría Dopaje (Semiconductores) Electrones Óxidos |
| description |
ABSTRACT: The doping response of the prototypical transparent oxides NiO (p-type), ZnO (n-type), and MgO (insulating) is caused by spontaneous formation of compensating centers, leading to Fermi-level pinning at critical Fermi energies. We study the doping principles in these oxides by first-principles calculations of carrier-producing or-compensating defects and of the natural band offsets, and identify the dopability trends with the ionization potentials and electron affinities of the oxides. We find that the room-temperature free-hole density of cation-deficient NiO is limited by a too large ionization energy of the Ni vacancy, but it can be strongly increased by extrinsic dopants with shallower acceptor levels. |
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2007 |
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2007 |
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2017-09-27T22:17:31Z |
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2017-09-27T22:17:31Z |
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info:eu-repo/semantics/article |
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http://purl.org/coar/version/c_970fb48d4fbd8a85 http://purl.org/coar/version/c_71e4c1898caa6e32 |
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Artículo de investigación |
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http://purl.org/coar/resource_type/c_2df8fbb1 |
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Lany, S., Osorio Guillén, J. M., & Zunger, A. (2007). Origins of the doping asymmetry in oxides: Hole doping in NiO versus electron doping in ZnO. Physical Review, B: Condensed Matter, 75(241203(R)), 1-4. DOI:PhysRevB.75.241203 |
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2469-9969 |
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http://hdl.handle.net/10495/8384 |
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2469-9969 E |
| dc.identifier.eissn.none.fl_str_mv |
2469-9950 |
| identifier_str_mv |
Lany, S., Osorio Guillén, J. M., & Zunger, A. (2007). Origins of the doping asymmetry in oxides: Hole doping in NiO versus electron doping in ZnO. Physical Review, B: Condensed Matter, 75(241203(R)), 1-4. DOI:PhysRevB.75.241203 2469-9969 2469-9969 E 2469-9950 |
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http://hdl.handle.net/10495/8384 |
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eng |
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eng |
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Phys Rev B |
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Atribución-NoComercial-SinDerivadas 2.5 Colombia |
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info:eu-repo/semantics/openAccess |
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http://creativecommons.org/licenses/by-nc-nd/2.5/co/ |
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openAccess |
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application/pdf |
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The American Physical Society |
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Ciencia de los Materiales |
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Estados Unidos |
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Universidad de Antioquia |
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Lany, StephanOsorio Guillén, Jorge MarioZunger, Alex2017-09-27T22:17:31Z2017-09-27T22:17:31Z2007Lany, S., Osorio Guillén, J. M., & Zunger, A. (2007). Origins of the doping asymmetry in oxides: Hole doping in NiO versus electron doping in ZnO. Physical Review, B: Condensed Matter, 75(241203(R)), 1-4. DOI:PhysRevB.75.2412032469-9969http://hdl.handle.net/10495/83842469-9969 E2469-9950ABSTRACT: The doping response of the prototypical transparent oxides NiO (p-type), ZnO (n-type), and MgO (insulating) is caused by spontaneous formation of compensating centers, leading to Fermi-level pinning at critical Fermi energies. We study the doping principles in these oxides by first-principles calculations of carrier-producing or-compensating defects and of the natural band offsets, and identify the dopability trends with the ionization potentials and electron affinities of the oxides. We find that the room-temperature free-hole density of cation-deficient NiO is limited by a too large ionization energy of the Ni vacancy, but it can be strongly increased by extrinsic dopants with shallower acceptor levels.application/pdfengThe American Physical SocietyCiencia de los MaterialesEstados Unidosinfo:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_2df8fbb1https://purl.org/redcol/resource_type/ARTArtículo de investigaciónhttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/version/c_71e4c1898caa6e32Atribución-NoComercial-SinDerivadas 2.5 Colombiainfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/2.5/co/http://purl.org/coar/access_right/c_abf2https://creativecommons.org/licenses/by-nc-nd/4.0/AsimetríaDopaje (Semiconductores)ElectronesÓxidosOrigins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnOPhys Rev BPhysical Review B: Condensed Matter1475241203(R)ORIGINALOsorioJorge_2007_OriginsDopingAsymmetry.pdfOsorioJorge_2007_OriginsDopingAsymmetry.pdfArtículo de investigaciónapplication/pdf183872http://bibliotecadigital.udea.edu.co/bitstream/10495/8384/1/OsorioJorge_2007_OriginsDopingAsymmetry.pdfdff3ffec70ab640c8dd3c5f340598186MD51CC-LICENSElicense_urllicense_urltext/plain; charset=utf-849http://bibliotecadigital.udea.edu.co/bitstream/10495/8384/2/license_url4afdbb8c545fd630ea7db775da747b2fMD52license_textlicense_texttext/html; charset=utf-80http://bibliotecadigital.udea.edu.co/bitstream/10495/8384/3/license_textd41d8cd98f00b204e9800998ecf8427eMD53license_rdflicense_rdfapplication/rdf+xml; charset=utf-80http://bibliotecadigital.udea.edu.co/bitstream/10495/8384/4/license_rdfd41d8cd98f00b204e9800998ecf8427eMD54LICENSElicense.txtlicense.txttext/plain; charset=utf-81748http://bibliotecadigital.udea.edu.co/bitstream/10495/8384/5/license.txt8a4605be74aa9ea9d79846c1fba20a33MD5510495/8384oai:bibliotecadigital.udea.edu.co:10495/83842021-05-16 11:46:40.88Repositorio Institucional Universidad de Antioquiaandres.perez@udea.edu.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 |