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Title: Spin-resolved self-doping tunes the intrinsic half-metallicity of AlN nanoribbons

Abstract

Here, we present a first-principles theoretical study of electric field-and straincontrolled intrinsic half-metallic properties of zigzagged aluminium nitride (AlN) nanoribbons. We show that the half-metallic property of AlN ribbons can undergo a transition into fully-metallic or semiconducting behavior with application of an electric field or uniaxial strain. An external transverse electric field induces a full charge screening that renders the material semiconducting. In contrast, as uniaxial strain varies from compressive to tensile, a spin-resolved selective self-doping increases the half-metallic character of the ribbons. The relevant strain-induced changes in electronic properties arise from band structure modifications at the Fermi level as a consequence of a spin-polarized charge transfer between p-orbitals of the N and Al edge atoms in a spin-resolved self-doping process. This band structure tunability indicates the possibility of designing magnetic nanoribbons with tunable electronic structure by deriving edge states from elements with sufficiently different localization properties. Finite temperature molecular dynamics reveal a thermally stable half-metallic nanoribbon up to room temperature.

Authors:
 [1];  [1];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565125
Grant/Contract Number:  
AC02-05CH11231; AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Nano Research
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 1998-0124
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; chemistry; science & technology; materials science; physics; aluminum nitride; half-metallicity; strain; electric field

Citation Formats

Lopez-Bezanilla, Alejandro, Ganesh, P., Kent, Paul R. C., and Sumpter, Bobby G. Spin-resolved self-doping tunes the intrinsic half-metallicity of AlN nanoribbons. United States: N. p., 2013. Web. doi:10.1007/s12274-013-0371-1.
Lopez-Bezanilla, Alejandro, Ganesh, P., Kent, Paul R. C., & Sumpter, Bobby G. Spin-resolved self-doping tunes the intrinsic half-metallicity of AlN nanoribbons. United States. https://doi.org/10.1007/s12274-013-0371-1
Lopez-Bezanilla, Alejandro, Ganesh, P., Kent, Paul R. C., and Sumpter, Bobby G. 2013. "Spin-resolved self-doping tunes the intrinsic half-metallicity of AlN nanoribbons". United States. https://doi.org/10.1007/s12274-013-0371-1. https://www.osti.gov/servlets/purl/1565125.
@article{osti_1565125,
title = {Spin-resolved self-doping tunes the intrinsic half-metallicity of AlN nanoribbons},
author = {Lopez-Bezanilla, Alejandro and Ganesh, P. and Kent, Paul R. C. and Sumpter, Bobby G.},
abstractNote = {Here, we present a first-principles theoretical study of electric field-and straincontrolled intrinsic half-metallic properties of zigzagged aluminium nitride (AlN) nanoribbons. We show that the half-metallic property of AlN ribbons can undergo a transition into fully-metallic or semiconducting behavior with application of an electric field or uniaxial strain. An external transverse electric field induces a full charge screening that renders the material semiconducting. In contrast, as uniaxial strain varies from compressive to tensile, a spin-resolved selective self-doping increases the half-metallic character of the ribbons. The relevant strain-induced changes in electronic properties arise from band structure modifications at the Fermi level as a consequence of a spin-polarized charge transfer between p-orbitals of the N and Al edge atoms in a spin-resolved self-doping process. This band structure tunability indicates the possibility of designing magnetic nanoribbons with tunable electronic structure by deriving edge states from elements with sufficiently different localization properties. Finite temperature molecular dynamics reveal a thermally stable half-metallic nanoribbon up to room temperature.},
doi = {10.1007/s12274-013-0371-1},
url = {https://www.osti.gov/biblio/1565125}, journal = {Nano Research},
issn = {1998-0124},
number = 1,
volume = 7,
place = {United States},
year = {Wed Oct 16 00:00:00 EDT 2013},
month = {Wed Oct 16 00:00:00 EDT 2013}
}

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Cited by: 12 works
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Works referenced in this record:

Strain-Engineering of Band Gaps in Piezoelectric Boron Nitride Nanoribbons
journal, February 2012


High Curie temperatures at low compensation in the ferromagnetic semiconductor (Ga,Mn)As
journal, March 2013


First principle studies of zigzag AlN nanoribbon
journal, February 2009


New Class of Materials: Half-Metallic Ferromagnets
journal, June 1983


Piezoelectric aluminum nitride thin films for microelectromechanical systems
journal, November 2012


SAW characteristics of AlN films sputtered on silicon substrates
journal, April 2004


Strain-controlled band engineering and self-doping in ultrathin LaNiO 3 films
journal, March 2012


Spintronics: A Spin-Based Electronics Vision for the Future
journal, November 2001


Bandgap Engineering of Strained Monolayer and Bilayer MoS2
journal, July 2013


Half-metallic graphene nanoribbons
journal, November 2006


Enhanced Half-Metallicity in Edge-Oxidized Zigzag Graphene Nanoribbons
journal, August 2007


Self-consistent order- N density-functional calculations for very large systems
journal, April 1996


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Electric Field Effects on Armchair MoS 2 Nanoribbons
journal, May 2012


Scanning tunneling microscopy observation of coiled aluminum nitride nanotubes
journal, January 2004


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Experimental Demonstration of Continuous Electronic Structure Tuning via Strain in Atomically Thin MoS 2
journal, May 2013


AlN serrated nanoribbons synthesized by chloride assisted vapor–solid route
journal, April 2004


Pressure-Induced Isostructural Phase Transition and Correlation of FeAs Coordination with the Superconducting Properties of 111-Type Na 1– x FeAs
journal, May 2011


Kristallstruktur und Ferromagnetismus der Mangan-Aluminium-Kupferlegierungen
journal, January 1934


Scanning tunneling microscopy observation of coiled aluminum nitride nanotubes
journal, January 2004


SAW characteristics of AlN films sputtered on silicon substrates
journal, April 2004


Works referencing / citing this record:

Biaxial strain modulated the electronic structure of hydrogenated 2D tetragonal silicene
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Nanoribbons: From fundamentals to state-of-the-art applications
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