English

AlH3 between 65-110 GPa: implications of electronic band and phonon structures

Superconductivity 2015-05-18 v2 Strongly Correlated Electrons

Abstract

A first-principles density-functional-theory method has been used to reinvestigate the mechanical and dynamical stability of the metallic phase of AlH3 between 65-110 GPa. The electronic properties and phonon dynamics as a function of pressure are also explored. We find electron-phonon superconductivity in the cubic Pm-3n structure with critical temperature Tc = 37 K at 70 GPa which decreases rapidly with the increase of pressure. Further unlike a previously calculated Tc value of 24 K at 110 GPa, we do not find any superconductivity of significance at this pressure which is consistent with experimental observation.

Keywords

Cite

@article{arxiv.1002.1355,
  title  = {AlH3 between 65-110 GPa: implications of electronic band and phonon structures},
  author = {A. K. M. A. Islam and M. M. Ali and M. L. Ali},
  journal= {arXiv preprint arXiv:1002.1355},
  year   = {2015}
}

Comments

6 pages, 4 figures Keywords: AlH3, Electronic structure, Phonon dynamics, Superconductivity PACS number(s): 62.50.-p, 63.20.kd, 74.10.+v, 74.20.Pq