Theoretical investigation of structural and electronic properties is presented for the rod-like oligomers R 3 -[MRNH] 3n -H 3 and [RMNH] n+1 (M=Ga,Al,In R=H,CH 3 ) of different lengths. Electronic structures of the oligomers with and without substitutions of Ga atoms with Al or In were studied at DFT level of theory. Clusters up to 8nm of length were considered. A type of terminal groups of the oligomers is found to have a dominant influence on their electronic properties.

Original languageEnglish
Title of host publication4th International Congress in Advances in Applied Physics and Materials Science, APMAS 2014
EditorsZehra Banu Bahsi, Mehmet Emre Okoz, Ahmet Yavuz Oral, Mehmet Ozer, Mehmet Sezer
PublisherAmerican Institute of Physics
Number of pages4
ISBN (Electronic)9780735412958
ISBN (Print)9780735412958
DOIs
StatePublished - 30 Mar 2015
Event4th International Congress in Advances in Applied Physics and Materials Science, APMAS 2014 - Fethiye, Turkey
Duration: 24 Apr 201427 Apr 2014

Publication series

NameAIP Conference Proceedings
Volume1653
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference4th International Congress in Advances in Applied Physics and Materials Science, APMAS 2014
Country/TerritoryTurkey
CityFethiye
Period24/04/1427/04/14

    Scopus subject areas

  • Physics and Astronomy(all)

    Research areas

  • DFT, Electronic structure, oligomers

ID: 3921961