Structural and electronic properties of C36
作者： G. K. Gueorguiev , J. M. Pacheco
DOI: 10.1063/1.1355985
关键词:
摘要: We carry out a first-principles and comparative study of structural electronic properties the two most stable—and equally stable—isomers fullerene C36. find that remarkable equivalence exhibited by isomers in what concerns their stability extends to many other properties. However, different geometric structure is responsible for sizeable differences vibrational spectra; as well we quantization states around Fermi level leads distribution strength low-energy excitations. These features may contribute rich distinct interplay between electrons phonons bulk phase.
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