Pressure effects on the electronic structure and superconducting critical temperature of Li2B2.


Journal Article

We present the structural, electronic and superconducting properties of Li2B2 under pressure within the framework of the density functional theory. The structural parameters, electronic band structure, phonon frequency of the E2g phonon mode and superconducting critical temperature Tc were calculated for pressures up to 20 GPa. We predicted that the superconducting critical temperature of Li2B2 is about 11 K and this decreases as pressure increases. We found that even though the lattice dynamics of the E2g phonon mode is similar to MgB2, the reduction of the σ-band density of states at Fermi level and the raising of the E2g phonon frequency with pressure were determinant to decrease λ and consequently Tc.

Full Text

Cited Authors

  • Martínez-Guerra, E; Ortíz-Chi, F; Curtarolo, S; de Coss, R

Published Date

  • March 3, 2014

Published In

Volume / Issue

  • 26 / 11

Start / End Page

  • 115701 -

PubMed ID

  • 24589928

Pubmed Central ID

  • 24589928

Electronic International Standard Serial Number (EISSN)

  • 1361-648X

International Standard Serial Number (ISSN)

  • 0953-8984

Digital Object Identifier (DOI)

  • 10.1088/0953-8984/26/11/115701


  • eng