Theory Study on Polarizability and Dipole Moment of W_mB_n(m+n≤7) Clusters

Abstract:

Geometric structure of W_mB_n(m+n7) clusters are optimized by using the density functional theory at the B3LYP/LANL2DZ level. For the ground state configurations, polarizability and dipole moment are analyzed. The calculated results show that: Δα varies with W atom which present turbulence change; W₂B₃ cluster is nonpolar, WB₅ cluster has the strongest polarity, W₅B₂ cluster has the weakest polarity, symmetry of clusters influence polarizabilities and dipole moment.

• Periodical: Advanced Materials Research (Volumes 774-776)
• Pages: 479-483
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.774-776.479
• Online since: September 2013
• Authors: Lin Yin, Xiu Rong Zhang, Fu Xing Zhang
• Keywords: Dipole Moment, Polarizability , W_mB_n(m+n≤7) Clusters

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