AI Article Synopsis
- The study investigates the properties of Li2B2 under pressure, focusing on its structure, electronic behavior, and superconductivity using density functional theory.
- It was found that Li2B2 exhibits a superconducting critical temperature (Tc) of approximately 11 K that decreases as pressure rises, specifically up to 20 GPa.
- The researchers noted that despite similarities in the E2g phonon mode to MgB2, changes in the density of states at the Fermi level and phonon frequency due to pressure significantly impacted the superconducting properties.
Article Abstract
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.
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| http://dx.doi.org/10.1088/0953-8984/26/11/115701 | DOI Listing |
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