Ab-initio vibrational dynamics study of silver nanoclusters

Journal Article · Mon May 23 00:00:00 EDT 2016 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4947989· OSTI ID:22608750

Gupta, Sanjeev K. ^[1]; Jha, Prafulla K. ^[2]

---

1. Department of Physics, St. Xavier’s College, Navrangpura, Ahmedabad-380009 (India)
2. Department of Physics, Faculty of Science, The M. S. University of Baroda, Vadodara-390002 (India)

The size dependent structural, electronic and vibrational properties of silver metal clusters along with its bulk counterparts have been studied using the first principles calculations within density functional theory. The size effect was studied by calculating a series of clusters discussed in terms of the increase in band gap when going from the bulk to cluster. The phonon calculations show that the clusters with smaller size are dynamically stable. Our findings will give some reference to the insight understanding of the electronic and vibrational properties of size orientation dependent Ag metal cluster.

• OSTI ID: 22608750
• Journal Information: AIP Conference Proceedings, Vol. 1731, Issue 1; Conference: DAE solid state physics symposium 2015, Uttar Pradesh (India), 21-25 Dec 2015; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
ATOMIC CLUSTERS
COMPUTERIZED SIMULATION
DENSITY
DENSITY FUNCTIONAL METHOD
LATTICE VIBRATIONS
NANOSTRUCTURES
PHONONS
SILVER