Observatorio de I+D+i UPM

Memorias de investigación
Research Publications in journals:
First principle study of V-implantation in highly-doped silicon materials
Year:2017
Research Areas
  • Solar energy,
  • Silicon,
  • Technology of devices for engineering
Information
Abstract
Density Functional Theory (DFT) has been used to study structural and electronic properties of new compounds based on V-implanted Si and their potential as infrared photodetectors. Effects derived from the implantation of V on bulk-Si are calculated at different configurations, i.e., substitutional (VSi) and interstitial (Vi) positions as well as the effect of Si vacancies. Despite all implantation processes are energetically penalized, Vi-implanted compound leads to the lowest formation energies. Furthermore, interstitial implantation in the vicinity of a Si vacancy would lead to a highly favored process. The analysis of the electronic structure shows that Vi-implanted compounds own an intermediate band (due to t2g states of vanadium atom), which allows new electronic transitions below 1.0 eV. To deal with the bandgap underestimation of common DFT methods, quasiparticle calculations have been applied via the G0W0 approximation. Applied correction to the bandgap based on GW has considerably improved theoretical results compared to experimental ones. The investigation of the absorption features points out that the absorption response can be extended up to infrared region via sub-gap transitions across the intermediate band. This work highlights the potential of V-implanted silicon based materials with infrared response.
International
Si
JCR
Si
Title
Computational Materials Science
ISBN
0927-0256
Impact factor JCR
2,292
Impact info
Volume
136
10.1016/j.commatsci.2017.05.005
Journal number
From page
207
To page
215
Month
SIN MES
Ranking
Participants
  • Autor: Gregorio Jose Garcia Moreno (UPM)
  • Autor: M. Casanova-Páez
  • Autor: Pablo Palacios Clemente (UPM)
  • Autor: E. Menéndez-Proupin
  • Autor: Perla Wahnon Benarroch (UPM)
Research Group, Departaments and Institutes related
  • Creador: Centro o Instituto I+D+i: Instituto de Energía Solar
  • Departamento: Física Aplicada a Las Ingenierías Aeronáutica y Naval
S2i 2020 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)