Browsing by Subject "Gallium Clusters"

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Correlation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: an ab initio study

Susan, Anju; Kibey, Aniruddha; Kaware, Vaibhav; Joshi, Kavita (American Institute of Physics, 2023-01-02)

We have investigated the correlation between the variation in the melting temperature and the growth pattern of small positively charged gallium clusters. Significant shift in the melting temperatures was observed for a ...
Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters

Susan, Anju; Joshi, Kavita (American Institute of Physics, 2023-01-02)

Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this ...
Scaling up the shape: a novel growth pattern of gallium clusters

Kaware, Vaibhav; Joshi, Kavita (American Institute of Physics, 2023-01-02)

Putative global minima for Ga+ N clusters with size “N” ranging from 49 to 70 are found by employing the Kohn-Sham formulation of the density functional theory, and their evolution is described and discussed in detail. We ...

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