Abstract：
:In order to obtain a detailed understanding of the modulation of electronic properties in nanoporous Si (np-Si) nanowires with containing ordered, nanometer-sized cylindrical pores, we propose a theoretical method to clarify the band shift and associated with the dielectric modification determined by the geometrical parameters, including nanowire diameter, pore size, pore spacing and porosity, in terms of size-dependent surface energy and atomic-bond-relaxation correlation mechanism. Our results reveal that the self-equilibrium strain induced by the atoms located at inner and outer surfaces with high ratio of under-coordinated atoms as well as elastic interaction among pores in np-Si nanowires play the dominant role in the bandgap shift and dielectric depression. The tunable electronic properties of np-Si nanowires with negative curvature make them attractive for nanoelectronic and optoelectronic devices.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Yu WB,Ouyang Gdoi
10.1038/s41598-017-14647-8subject
Has Abstractpub_date
2017-10-31 00:00:00pages
14456issue
1issn
2045-2322pii
10.1038/s41598-017-14647-8journal_volume
7pub_type
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