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Title: Influence of Elastic and Surface Strains on the Optical Properties of Semiconducting Core-Shell Nanoparticles

Abstract

Core-shell nanoparticle systems of Zn-ZnO and ZnO-TiO2 are studied computationally using finite element methods. The inclusion of a surface free energy and the elastic mismatch of the core and shell create an imprinting effect within the shell structure that produces a wide variation of strains. Due to this diversity of strains, the sharp direct band gap edges of the bulk semiconductor are observed to be broadened. We show that a variety of factors, such as particle size, core-to-shell volume ratio, applied hydrostatic pressure, shell microstructure, as well as the effect of elastic anisotropy, can influence the distribution of optical band gap values throughout the particle.

Authors:
; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division; National Institute of Standards and Technology (NIST)
OSTI Identifier:
1391975
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Physical Review Applied
Additional Journal Information:
Journal Volume: 4; Journal Issue: 1; Journal ID: ISSN 2331-7019
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY

Citation Formats

Mangeri, John, Heinonen, Olle, Karpeyev, Dmitry, and Nakhmanson, Serge. Influence of Elastic and Surface Strains on the Optical Properties of Semiconducting Core-Shell Nanoparticles. United States: N. p., 2015. Web. doi:10.1103/PhysRevApplied.4.014001.
Mangeri, John, Heinonen, Olle, Karpeyev, Dmitry, & Nakhmanson, Serge. Influence of Elastic and Surface Strains on the Optical Properties of Semiconducting Core-Shell Nanoparticles. United States. doi:10.1103/PhysRevApplied.4.014001.
Mangeri, John, Heinonen, Olle, Karpeyev, Dmitry, and Nakhmanson, Serge. Wed . "Influence of Elastic and Surface Strains on the Optical Properties of Semiconducting Core-Shell Nanoparticles". United States. doi:10.1103/PhysRevApplied.4.014001.
@article{osti_1391975,
title = {Influence of Elastic and Surface Strains on the Optical Properties of Semiconducting Core-Shell Nanoparticles},
author = {Mangeri, John and Heinonen, Olle and Karpeyev, Dmitry and Nakhmanson, Serge},
abstractNote = {Core-shell nanoparticle systems of Zn-ZnO and ZnO-TiO2 are studied computationally using finite element methods. The inclusion of a surface free energy and the elastic mismatch of the core and shell create an imprinting effect within the shell structure that produces a wide variation of strains. Due to this diversity of strains, the sharp direct band gap edges of the bulk semiconductor are observed to be broadened. We show that a variety of factors, such as particle size, core-to-shell volume ratio, applied hydrostatic pressure, shell microstructure, as well as the effect of elastic anisotropy, can influence the distribution of optical band gap values throughout the particle.},
doi = {10.1103/PhysRevApplied.4.014001},
journal = {Physical Review Applied},
issn = {2331-7019},
number = 1,
volume = 4,
place = {United States},
year = {2015},
month = {7}
}

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