Theoretical studies of monoatomic metallic nanowires

• Grant number: 08/10503-1
• Support Opportunities: Scholarships in Brazil - Post-Doctorate
• Effective date (Start): March 01, 2009
• Effective date (End): January 31, 2011
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Antonio José Roque da Silva
• Grantee: Edwin Hobi Junior
• Host Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil

Abstract

Metallic nanowires have been studied for more than a decade and they still atract a great deal of interest, since they allow the investigation of systems with low dimensionality. Moreover, they are also potential candidates as interconection units between devices in a molecular electronics framework. This project has as a general goal the study of monoatomic metallic nanowires, both pure or with impurities. In particular, two specific topics will be investigated: 1) the rupture process for different degrees of elongation of the nanowires; 2) charge transport properties and their correlation with the dynamics of motion of the atoms. The methodology is essentialy the same that has been employed in our group at the IFUSP, i.e., total energy calculations based on DFT and charge transport via NEGF-DFT.

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

HOBI, JR., EDWIN; PONTES, RENATO B.; FAZZIO, A.; DA SILVA, ANTONIO J. R.. Formation of atomic carbon chains from graphene nanoribbons. Physical Review B, v. 81, n. 20, p. 201406, 2010. (05/59581-6, 08/10503-1)