English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

We performed a comprehensive study of the size‐, shape‐, and composition‐dependent polarizabilities of Si  m  C  n   ( m ,  n  = 1–4) clusters on the basis of the density‐functional‐based coupled perturbed Hartree–Fock calculations. We found better correlations between the polarizabilities and both the binding energies ( E  b ) and change in charge distribution (Δ q ) than the energy gaps. The α values exhibit overall decreasing and increasing trends with increases in the  E  b  and Δ q  values, respectively. For isomers with the same  E  b  values and different polarizabilities, Δ q  can well explain the difference in polarizabilities. The π‐electron delocalization effect is the best factor for understanding the shape‐dependence. For a given  m / n  value, the linear clusters have an obviously larger polarizability than both the prolate and compact clusters, irrespective of the cluster size. We fit a quantitative expression [α =  A  − ( A  −  B ) × exp(− k ( m / n ))] to describe the composition‐dependent polarizabilities. © 2012 Wiley Periodicals, Inc.

Comprehensive understanding of size‐, shape‐, and composition‐dependent polarizabilities of Si m C n ( m , n = 1–4) clusters