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The Influence of Boron Dopant on the Structural and Mechanical Properties of Silicon: First Principles Study

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Energy Technology 2019

Part of the book series: The Minerals, Metals & Materials Series ((MMMS))

Abstract

Boron (B) is usually used to produce p-type silicon to form the base layer in wafer-based silicon solar cells . The main objective of this work is to investigate the influence of B doping on the structural and mechanical properties of silicon . Using CASTEP program, which uses the density functional theory (DFT), with a plane wave basis, the structural, electronic, and mechanical properties of pure Si and the solid solution Si1−xBx (0.0001 ≤ x ≤ 0.05) were studied. The structure, density of states, band structure, and elastic properties were computed. It is found that as B concentration increases, the lattice constant increases, Bulk modulus (B), Shear modulus (G), and Young modulus (E) decreases. The ratio G/B decreases and Poisson’s ratio (ν) increases. The decrease of G/B and increase of ν mean that brittleness of Si decreases by increasing B concentration.

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Author information

Authors and Affiliations

  1. Faculty of Science, Physics Department, Al Isra University, Amman, 11622, Jordan

    Shadia Ikhmayies

  2. Department of Physics, Gazi University, Teknikokullar, Ankara, 06500, Turkey

    Yasemin Ö. Çiftci

Authors
  1. Shadia Ikhmayies
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  2. Yasemin Ö. Çiftci
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Corresponding author

Correspondence to Shadia Ikhmayies .

Editor information

Editors and Affiliations

  1. Nucor Castrip Arkansas, Blytheville, AR, USA

    Tao Wang

  2. Royal Melbourne Institute of Technology, Melbourne, VIC, Australia

    Xiaobo Chen

  3. Idaho National Laboratory, Idaho Falls, ID, USA

    Donna Post Guillen

  4. University of Alaska Fairbanks, Fairbanks, AK, USA

    Lei Zhang

  5. Queensland University of Technology, Brisbane, QLD, Australia

    Ziqi Sun

  6. Northeastern University, Shenyamg, China

    Cong Wang

  7. Commonwealth Scientific and Industrial Research Organization, Clayton South, VIC, Australia

    Nawshad Haque

  8. Purdue University, West Lafayette, IN, USA

    John A. Howarter

  9. IND LLC, South Jordan, UT, USA

    Neale R Neelameggham

  10. Al-Isra University, Amman, Jordan

    Shadia Ikhmayies

  11. University of Utah, Salt Lake City, UT, USA

    York R. Smith

  12. University of British Columbia, Vancouver, BC, Canada

    Leili Tafaghodi

  13. LG Fuel Cell Systems, North Canton, OH, USA

    Amit Pandey

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Ikhmayies, S., Çiftci, Y.Ö. (2019). The Influence of Boron Dopant on the Structural and Mechanical Properties of Silicon: First Principles Study. In: Wang, T., et al. Energy Technology 2019. The Minerals, Metals & Materials Series. Springer, Cham. https://doi.org/10.1007/978-3-030-06209-5_20

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