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Semiconductors

Bulk moduli of the silicon and germanium fullerenes Si$_{60}$ and Ge$_{60}$

Yu. V. Luniakov^ab, S. A. Balagan<sup>a

a</sup> Institute for Automation and Control Processes, Far Eastern Branch of the Russian Academy of Sciences, Vladivostok
^b Far Eastern Federal University, Vladivostok

Abstract: The bulk moduli of the silicon and germanium fullerenes Si$_{60}$ and Ge$_{60}$ of different symmetries have been calculated using the density functional theory method. It has been shown that the bulk moduli of metastable fullerenes of the highest symmetry $I_h$ have maximum values and exceed those of the corresponding bulk crystal structures by a factor of 1.5–1.7. The most stable fullerenes have the symmetry $C_1$ and lower bulk moduli. The bulk moduli of the silicon and germanium fullerenes Si$_{60}$ and Ge$_{60}$exceed the bulk moduli of the corresponding crystal structures by factors of 1.44 and 1.38–1.40, respectively.

Received: 21.11.2014

 English version: Physics of the Solid State, 2015, 57:6, 1073–1078

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