Geodesic
Quantum-chemical research of endohedral yttrium metallofullerenes
Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 10 (2017) no. 4, pp. 422-428

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The structural and electronic properties of single molecule $\mathrm{Y@C_{82}}$, their join couple and crystal structure of $\mathrm{Y@C_{82}}$ were investigated by DFT-GGA approach. The calculations show that $\mathrm{Y@C_{82}}$ form stable crystal structures wich may have ferroelectric properties, so they can be applied in electronics as a ferroelectric memory.
Keywords: endohedral metallofullerenes, $\mathrm{Y@C_{82}}$, ferroelectric properties, density functional theory. 
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     author = {Anastasia S. Kholtobina and Darya I. Tsyplenkova and Aleksandr A. Kuzubov and Maxim A. Visotin and Aleksandr S. Fedorov},
     title = {Quantum-chemical research of endohedral yttrium metallofullerenes},
     journal = {\v{Z}urnal Sibirskogo federalʹnogo universiteta. Matematika i fizika},
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     url = {http://geodesic.mathdoc.fr/item/JSFU_2017_10_4_a2/}
}
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Anastasia S. Kholtobina; Darya I. Tsyplenkova; Aleksandr A. Kuzubov; Maxim A. Visotin; Aleksandr S. Fedorov. Quantum-chemical research of endohedral yttrium metallofullerenes. Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 10 (2017) no. 4, pp. 422-428. http://geodesic.mathdoc.fr/item/JSFU_2017_10_4_a2/