Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties-Reference-Cited by-同舟云学术

Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties

Published:2019 Issue:37 Volume:21 Page:20939-20950
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Platonenko Alexander¹²³⁴^ORCID,Gentile Francesco Silvio⁵⁶⁷⁸^ORCID,Pascale Fabien⁹¹⁰¹¹¹²¹³^ORCID,Ferrari Anna Maria⁵⁶⁷⁸^ORCID,D’Amore Maddalena⁵⁶⁷⁸^ORCID,Dovesi Roberto⁵⁶⁷⁸^ORCID

Affiliation:

1. Institute of Solid State Physics

2. University of Latvia

3. Riga

4. Latvia

5. Dipartimento di Chimica

6. Università di Torino and NIS (Nanostructured Interfaces and Surfaces) Centre

7. 10125 Torino

8. Italy

9. Université de Lorraine – Nancy

10. CNRS

11. Laboratoire de Physique et Chimie Théoriques

12. UMR 7019

13. Vandœuvre-lès-Nancy

Abstract

The vibrational Infrared (IR) and Raman spectra of seven substitutional defects in bulk silicon are computed, by using the quantum mechanical CRYSTAL code, the supercell scheme, an all electron Gaussian type basis set and the B3LYP functional.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03185E

Reference41 articles.

1. Dynamic Behavior of Intrinsic Point Defects in Fz and Cz Silicon Crystals

2. Defect engineering of Czochralski single-crystal silicon

3. Mechanical properties of nitrogen-doped CZ silicon crystals

4. Effects of nitrogen on oxygen precipitation in silicon

5. Nitrogen diffusion and interaction with dislocations in single-crystal silicon

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