Effect of vacancy concentration on elastic and electronic properties of InAs and GaAs: Towards defected structures of nanoobjects

A. Majtyka, D. Chrobak, B. Romanowski, A. Ratuszna, R. Nowak*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)

Abstract

This paper pertains to elastic properties of InAs and GaAs semiconducting crystals containing various amounts of vacancies - the relevant issue in the case of nanostructured electronic materials. The linear relationship between elastic constants and point defects concentration deduced from our classical molecular dynamic and ab initio calculations, confirms that an increasing vacancy content results in a decrease of pertinent elastic parameters, namely the crystal elastic stiffness-tensor components, the effect called herein "the softening of material" for simplicity. The pseudo-potential-based approach provides us results compatible with the available experimental data, while the alternatively used empirical potentials failed to account for different kind of vacancies on the elastic properties of semiconductors. Our results provide an expanded insight into the problems of modeling of the properties of the defected InAs and GaAs crystal structures. This issue is of interest to nanoelectronics and production of nanomaterials currently.

Original languageEnglish
Pages (from-to)6459-6464
Number of pages6
JournalJournal of Nanoscience and Nanotechnology
Volume16
Issue number6
DOIs
Publication statusPublished - 1 Jun 2016
MoE publication typeA1 Journal article-refereed

Keywords

  • Classical molecular dynamics
  • Defected crystalline nanoobjects
  • DFT - Ab initio calculations
  • Elasticity
  • Electronic properties
  • Mechanical properties

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