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 voltages, 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.

Energetics and carrier transport in doped Si/SiO2 quantum dots / Garcia Castello, Nuria; Illera, Sergio; Prades, Joan Daniel; Ossicini, Stefano; Cirera, Albert; Guerra, Roberto. - In: NANOSCALE. - ISSN 2040-3364. - STAMPA. - 7:29(2015), pp. 12564-12571. [10.1039/c5nr02616d]

Energetics and carrier transport in doped Si/SiO2 quantum dots

OSSICINI, Stefano;GUERRA, Roberto
2015

Abstract

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 voltages, 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.
6-lug-2015
7
29
12564
12571
Energetics and carrier transport in doped Si/SiO2 quantum dots / Garcia Castello, Nuria; Illera, Sergio; Prades, Joan Daniel; Ossicini, Stefano; Cirera, Albert; Guerra, Roberto. - In: NANOSCALE. - ISSN 2040-3364. - STAMPA. - 7:29(2015), pp. 12564-12571. [10.1039/c5nr02616d]
Garcia Castello, Nuria; Illera, Sergio; Prades, Joan Daniel; Ossicini, Stefano; Cirera, Albert; Guerra, Roberto
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1070660
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