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
| Summary: | 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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