Characterization of two-dimensional Ga1−xAlxN ordered alloys with varying chemical composition

Simple item page
buir.contributor.authorKanlı, Muammer
buir.contributor.authorÖnen, Abdullatif
buir.contributor.authorDurgun, Engin
dc.citation.epage18en_US
dc.citation.spage13en_US
dc.citation.volumeNumber167en_US
dc.contributor.authorKanlı, Muammeren_US
dc.contributor.authorÖnen, Abdullatifen_US
dc.contributor.authorMogulkoc, A.en_US
dc.contributor.authorDurgun, Enginen_US
dc.date.accessioned2020-01-28T07:36:19Z
dc.date.available2020-01-28T07:36:19Z
dc.date.issued2019
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.description.abstractSimilar to bulk semiconductors, alloying suggests a promising strategy to tailor the fundamental properties oftwo-dimensional (2D) systems with constituent composition. In that sense, detailed understanding of atomicstructure and stability analysis are required to predict and design new 2D alloys. In this paper, we analyze thestructural, mechanical, electronic, thermal, and optical properties of monolayer Ga1−xAlxN ordered alloys forvarying concentration by usingab initiomethods. Following the determination of ground state geometries bytaking into account the possibility of segregation, we investigate the stability of the considered structures byphonon spectrum analysis and high temperature molecular dynamics calculations. Our results indicate that theproperties of 2D Ga1−xAlxN can be modified continuously by controlling the Al concentration. Tunability of thedesired properties broadens the possible usage of 2D semiconductors in nanoscale applications.en_US
dc.embargo.release2021-09-01
dc.identifier.doi10.1016/j.commatsci.2019.05.018en_US
dc.identifier.issn0927-0256
dc.identifier.urihttp://hdl.handle.net/11693/52860
dc.language.isoEnglishen_US
dc.publisherElsevieren_US
dc.relation.isversionofhttps://dx.doi.org/10.1016/j.commatsci.2019.05.018en_US
dc.source.titleComputational Materials Scienceen_US
dc.subject2D materialsen_US
dc.subjectIII-nitridesen_US
dc.subjectAlloysen_US
dc.subjectAb initioen_US
dc.subjectDFTen_US
dc.titleCharacterization of two-dimensional Ga1−xAlxN ordered alloys with varying chemical compositionen_US
dc.typeArticleen_US

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Characterization_of_two-dimensional_Ga1−xAlxN_ordered_alloys_with_varying_chemical_composition.pdf
Size:
987.86 KB
Format:
Adobe Portable Document Format
Description:
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

Nanotechnology Research Center (NANOTAM)
Institute of Materials Science and Nanotechnology (UNAM)