Journal
PLOS ONE
Volume 11, Issue 1, Pages -Publisher
PUBLIC LIBRARY SCIENCE
DOI: 10.1371/journal.pone.0147645
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Funding
- Direccion General de Asuntos del Personal Academico, UNAM
- Proyecto Simulando materiales metalicos amorfos. Su estructura y propiedades fisicas [IN110914]
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To investigate the relationship between atomic topology, vibrational and electronic properties and superconductivity of bismuth, a 216-atom amorphous structure (a-Bi216) was computer-generated using our undermelt-quench approach. Its pair distribution function compares well with experiment. The calculated electronic and vibrational densities of states (eDOS and vDOS, respectively) show that the amorphous eDOS is about 4 times the crystalline at the Fermi energy, whereas for the vDOS the energy range of the amorphous is roughly the same as the crystalline but the shapes are quite different. A simple BCS estimate of the possible crystalline superconducting transition temperature gives an upper limit of 1.3 mK. The e-ph coupling is more preponderant in a-Bi than in crystalline bismuth (x-Bi) as indicated by the lambda obtained via McMillan's formula, lambda(c) = 0.24 and experiment lambda(a) = 2.46. Therefore with respect to x-Bi, superconductivity in a-Bi is enhanced by the higher values of. and of eDOS at the Fermi energy.
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