English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/99432
Share/Impact:
Statistics
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:

Title

Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory

AuthorsChinchore, Abhijit V.; Smith, Arthur R.; Ordejón, Pablo
Issue Date2013
PublisherAmerican Physical Society
CitationPhysical Review B 87: 165426 (2013)
AbstractManganese deposited on the N-polar face of wurtzite gallium nitride [GaN (0001̄)] results in two unique surface reconstructions, depending on the deposition temperature. At lower temperature (less than 105ºC), it is found that a metastable 3×3 structure forms. Mild annealing of this Mn 3×3 structure leads to an irreversible phase transition to a different, much more stable √3×√3-R30º structure which can withstand high-temperature annealing. Scanning tunneling microscopy (STM) and reflection high-energy electron diffraction data are compared with results from first-principles theoretical calculations. Theory finds a lowest-energy model for the 3×3 structure consisting of Mn trimers bonded to the Ga adlayer atoms but not with N atoms. The lowest-energy model for the more stable √3×√3-R30º structure involves Mn atoms substituting for Ga within the Ga adlayer and thus bonding with N atoms. Tersoff-Hamman simulations of the resulting lowest-energy structural models are found to be in very good agreement with the experimental STM images.
Descriptionet al.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevB.87.165426
URIhttp://hdl.handle.net/10261/99432
DOI10.1103/PhysRevB.87.165426
ISSN1098-0121
E-ISSN1550-235X
Appears in Collections:(CIN2) Artículos
Files in This Item:
File Description SizeFormat 
Manganese 3×3.pdf7,08 MBAdobe PDFThumbnail
View/Open
Show full item record
Review this work
 

Related articles:


WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.