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Title: Substitutional Doping Widens Silicene Gap

Abstract

A numerical study of electronic transport properties of doped silicene is presented. By means of ab initio calculations a self-consistent scattering potential is derived for boron, nitrogen, aluminium, and phosphorus substitutions in silicene, and the quantum-mechanical Landauer-Büttiker approach is used to evaluate the conductivities of doped silicene ribbons with various impurity concentrations. An individual defect introduces asymmetric electronhole conductivities that depend both on the type of doping and the position of the foreign atom with respect to the edges. Quantum interference effects at zero temperature are modeled to show that randomly distributed defects over 1 mm long and realistically wide silicon nanoribbons widen the intrinsic electr onic gap that arises from quantum confinement. Mobility gaps created at low doping rates may lead to greater efficiency in the design of new silicon-based devices, providing the ability for suitable control of silicon ribbons band gap.

Authors:
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1396279
DOE Contract Number:
AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry. C; Journal Volume: 118; Journal Issue: 32
Country of Publication:
United States
Language:
English

Citation Formats

Lopez-Bezanilla, Alejandro. Substitutional Doping Widens Silicene Gap. United States: N. p., 2014. Web. doi:10.1021/jp5060809.
Lopez-Bezanilla, Alejandro. Substitutional Doping Widens Silicene Gap. United States. doi:10.1021/jp5060809.
Lopez-Bezanilla, Alejandro. Thu . "Substitutional Doping Widens Silicene Gap". United States. doi:10.1021/jp5060809.
@article{osti_1396279,
title = {Substitutional Doping Widens Silicene Gap},
author = {Lopez-Bezanilla, Alejandro},
abstractNote = {A numerical study of electronic transport properties of doped silicene is presented. By means of ab initio calculations a self-consistent scattering potential is derived for boron, nitrogen, aluminium, and phosphorus substitutions in silicene, and the quantum-mechanical Landauer-Büttiker approach is used to evaluate the conductivities of doped silicene ribbons with various impurity concentrations. An individual defect introduces asymmetric electronhole conductivities that depend both on the type of doping and the position of the foreign atom with respect to the edges. Quantum interference effects at zero temperature are modeled to show that randomly distributed defects over 1 mm long and realistically wide silicon nanoribbons widen the intrinsic electr onic gap that arises from quantum confinement. Mobility gaps created at low doping rates may lead to greater efficiency in the design of new silicon-based devices, providing the ability for suitable control of silicon ribbons band gap.},
doi = {10.1021/jp5060809},
journal = {Journal of Physical Chemistry. C},
number = 32,
volume = 118,
place = {United States},
year = {Thu Aug 14 00:00:00 EDT 2014},
month = {Thu Aug 14 00:00:00 EDT 2014}
}