Quantum-chemical research of endohedral yttrium metallofullerenes

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.