Pressure effects on the superconducting critical temperature of Li2B2

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 calculate...

Full description

Saved in:
Bibliographic Details
Published inarXiv.org
Main Authors Martínez-Guerra, Edgar, Ortíz-Chi, Filiberto, Curtarolo, Stefano, de Coss, Romeo
Format Paper
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 07.01.2014
Subjects
Critical temperature
Density functional theory
Magnesium compounds
Phonons
Pressure effects
Superconductivity
Transition temperature
Online AccessGet full text

Cover

More Information
Summary: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 {\sigma}-band density of states at Fermi level and the raising of the E2g phonon frequency with pressure were determinant to decrease {\lambda} and consequently Tc.
ISSN:2331-8422