Document Detail

Pressure effects on the electronic structure and superconducting critical temperature of Li2B2.
MedLine Citation:
PMID:  24589928     Owner:  NLM     Status:  In-Data-Review    
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.
E Martínez-Guerra; F Ortíz-Chi; S Curtarolo; R de Coss
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Publication Detail:
Type:  Journal Article     Date:  2014-03-03
Journal Detail:
Title:  Journal of physics. Condensed matter : an Institute of Physics journal     Volume:  26     ISSN:  1361-648X     ISO Abbreviation:  J Phys Condens Matter     Publication Date:  2014 Mar 
Date Detail:
Created Date:  2014-03-04     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  England    
Other Details:
Languages:  eng     Pagination:  115701     Citation Subset:  IM    
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