A study of various geometries of gold nanowires and effect of doping

Journal Article · Thu Apr 24 00:00:00 EDT 2014 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4872623· OSTI ID:22269477

Priyanka,; Bansal, Sumali; Dharamvir, Keya ^[1]; Bhandari, Rajiv ^[2]

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1. Department of Physics, Panjab University, Chandigarh (India)
2. Post Graduate Government College, Sector 11, Chandigarh (India)

We present here the simulations, using Gupta Potential, of gold cylinders under stress, showing the changes leading to the formation of chains at nano level. When one of these short chains is stretched, it transforms from a zigzag configuration to a straight one, passing through various qualitatively different phases and ultimately disintegrating via an interesting ‘dimer’ phase. Strain vs stress for all the cases are presented and young’s modulus calculated. Using Density functional theory (DFT) study we have shown that doping of gold strand with Silicon or Carbon atoms increases its thermodynamic stability as suggested in a recent study.

• OSTI ID: 22269477
• Journal Information: AIP Conference Proceedings, Vol. 1591, Issue 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
CARBON
COMPUTERIZED SIMULATION
CRYSTAL DOPING
DENSITY FUNCTIONAL METHOD
GOLD
PHASE STABILITY
POTENTIALS
QUANTUM WIRES
SILICON
STRAINS
STRESSES