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

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Effect of vacancy concentration on elastic and electronic properties of InAs and GaAs : Towards defected structures of nanoobjects. / Majtyka, A.; Chrobak, D.; Romanowski, B.; Ratuszna, A.; Nowak, R.

In: Journal of Nanoscience and Nanotechnology, Vol. 16, No. 6, 01.06.2016, p. 6459-6464.

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@article{74a3846481ed4ac6868ac94ed1ce8e2a,
title = "Effect of vacancy concentration on elastic and electronic properties of InAs and GaAs: Towards defected structures of nanoobjects",
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.",
keywords = "Classical molecular dynamics, Defected crystalline nanoobjects, DFT - Ab initio calculations, Elasticity, Electronic properties, Mechanical properties",
author = "A. Majtyka and D. Chrobak and B. Romanowski and A. Ratuszna and R. Nowak",
year = "2016",
month = "6",
day = "1",
doi = "10.1166/jnn.2016.12673",
language = "English",
volume = "16",
pages = "6459--6464",
journal = "Journal of Nanoscience and Nanotechnology",
issn = "1533-4880",
number = "6",

}

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TY - JOUR

T1 - Effect of vacancy concentration on elastic and electronic properties of InAs and GaAs

T2 - Towards defected structures of nanoobjects

AU - Majtyka, A.

AU - Chrobak, D.

AU - Romanowski, B.

AU - Ratuszna, A.

AU - Nowak, R.

PY - 2016/6/1

Y1 - 2016/6/1

N2 - 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.

AB - 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.

KW - Classical molecular dynamics

KW - Defected crystalline nanoobjects

KW - DFT - Ab initio calculations

KW - Elasticity

KW - Electronic properties

KW - Mechanical properties

UR - http://www.scopus.com/inward/record.url?scp=84975122991&partnerID=8YFLogxK

U2 - 10.1166/jnn.2016.12673

DO - 10.1166/jnn.2016.12673

M3 - Article

VL - 16

SP - 6459

EP - 6464

JO - Journal of Nanoscience and Nanotechnology

JF - Journal of Nanoscience and Nanotechnology

SN - 1533-4880

IS - 6

ER -

ID: 6486898