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Title: Influence of excess silicon on polytype selection during metal-mediated epitaxy of GaN nanowires

Journal Article · · Applied Physics Letters
DOI: https://doi.org/10.1063/5.0210669 · OSTI ID:2433985

For this work, we have examined the origins of polytype selection during metal-mediated molecular-beam epitaxy of GaN nanowires (NWs). High-angle annular dark-field scanning transmission electron microscopy reveals [111]-oriented zinc blende (ZB) NWs and [0001]-oriented wurtzite (WZ) NWs, with SixNy at the interface between individual NWs and the Si (001) substrate. Quantitative energy dispersive x-ray spectroscopy reveals a notably higher Si concentration of 7.0% ± 2.3% in zinc blende (ZB) NWs than 2.3% ± 1.2% in wurtzite (WZ) NWs. Meanwhile, density functional theory calculations show that incorporation of 8 at. % Si on the Ga sublattice inverts the difference in formation energies between WZ and ZB GaN, such that the ZB polytype of GaN is stabilized. This identification of Si and other ZB polytype stabilizers will enable the development of polytype heterostructures in a wide variety of WZ-preferring compounds.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)
Grant/Contract Number:
SC0012704; SC0023222
OSTI ID:
2433985
Report Number(s):
BNL--225977-2024-JAAM
Journal Information:
Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 4 Vol. 125; ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (20)

The Ga−Si (Gallium-Silicon) system journal August 1985
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Arrangement of GaN nanowires on Si(001) substrates studied by X-ray diffraction: Importance of silicon nitride interlayer journal December 2017
Mechanism of stabilization of zincblende GaN on hexagonal substrates: Insight gained from growth on ZrB2 (0 0 0 1) journal November 2005
Effect of growth temperature on polytype transition of GaN from zincblende to wurtzite journal March 2007
Crystal Phase Quantum Dots in the Ultrathin Core of GaAs–AlGaAs Core–Shell Nanowires journal October 2015
Carrier Dynamics and Quantum Confinement in type II ZB-WZ InP Nanowire Homostructures journal February 2009
Twinning superlattices in indium phosphide nanowires journal November 2008
Interface dynamics and crystal phase switching in GaAs nanowires journal March 2016
Droplet epitaxy mediated growth of GaN nanostructures on Si (111) via plasma-assisted molecular beam epitaxy journal January 2018
Evolution of structural and optical properties of ion-beam synthesized GaAsN nanostructures journal October 2002
Wurtzite GaN nanocolumns grown on Si(001) by molecular beam epitaxy journal May 2006
Optical properties of wurtzite/zinc-blende heterostructures in GaN nanowires journal September 2011
Growth by molecular beam epitaxy and properties of inclined GaN nanowires on Si(001) substrate journal March 2014
Zinc-blende–wurtzite polytypism in semiconductors journal October 1992
Projector augmented-wave method journal December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Generalized Gradient Approximation Made Simple journal October 1996
Nanostructural analysis of GaN tripods and hexapods grown onc-plane sapphire journal October 2010
Simple Criterion for Wurtzite-Zinc-Blende Polytypism in Semiconductors journal October 1998