Energetics and carrier transport in doped Si/SiO2 quantum dots

In the present theoretical work we have considered impurities, either boron or phosphorous, located at different substitutional sites in silicon quantum dots (Si-QDs) with diameters around 1.5 nm, embedded in a SiO2 matrix. Formation energy calculations reveal that the most energetically-favored dop...

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Detalles Bibliográficos
Autores: Garcia-Castello, Nuria, Illera Robles, Sergio, Prades García, Juan Daniel, Ossicini, Stefano, Cirera Hernández, Albert, Guerra, Roberto
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2015
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/103227
Acceso en línea:https://hdl.handle.net/2445/103227
Access Level:acceso abierto
Palabra clave:Transport d'electrons
Semiconductors
Electrònica quàntica
Nanoelectrònica
Electron transport
Quantum electronics
Nanoelectronics
Descripción
Sumario:In the present theoretical work we have considered impurities, either boron or phosphorous, located at different substitutional sites in silicon quantum dots (Si-QDs) with diameters around 1.5 nm, embedded in a SiO2 matrix. Formation energy calculations reveal that the most energetically-favored doping sites are inside the QD and at the Si/SiO2 interface for P and B impurities, respectively. Furthermore, electron and hole transport calculations show in all the cases a strong reduction of the minimum voltage threshold, and a corresponding increase of the total current in the low-voltage regime. At higher voltage, our findings indicate a significant increase of transport only for P-doped Si-QDs, while the electrical response of B-doped ones does not stray from the undoped case. These findings are of support for the employment of doped Si-QDs in a wide range of applications, such as Si-based photonics or photovoltaic solar cells.