Abstract
Ab initio calculations of the atomic and electronic structures of Cu N and NaN (N = 2 - 22) clusters show similar growth behaviors. These can be characterized into 3 regimes: planar, layered and 3D structures. Atomic structures lead to anomalies in the even-odd alternation behavior of the second order energy difference for N = 16 and 17 in both Cu N and NaN. The effects of sp-d hybridization on the atomic and electronic structures of CuN clusters are discussed.
| Original language | English |
|---|---|
| Pages (from-to) | 2421-2426 |
| Number of pages | 6 |
| Journal | International Journal of Modern Physics B |
| Volume | 19 |
| Issue number | 15-17 |
| DOIs | |
| Publication status | Published - 2005 Jul 10 |
Keywords
- Ab initio calculations
- Na and Cu clusters
- sp-d hybridization
ASJC Scopus subject areas
- Statistical and Nonlinear Physics
- Condensed Matter Physics
Fingerprint Dive into the research topics of 'Growth behaviors and electronic structures of Na and Cu nanoclusters: The role of sp-d hybridization'. Together they form a unique fingerprint.
Cite this
Itoh, M., Kumar, V., & Kawazoe, Y. (2005). Growth behaviors and electronic structures of Na and Cu nanoclusters: The role of sp-d hybridization. International Journal of Modern Physics B, 19(15-17), 2421-2426. https://doi.org/10.1142/S0217979205031080