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First-Principles Zone-Center Theory of Superconductivity in MgB2

Published

Author(s)

Taner N. Yildirim, O Gulseren

Abstract

We have carried out first-principles calculation of Tc and other relevant parameters of the new 40 K superconductor MgB2. Our results are in excellent agreement with the neutron measurements of phonons as well as with the measured boron isotope effect and pressure dependence of Tc. We find that the in-plane boron phonons near the zone-canter are very anharmonic and strongly coupled to the planar B s bands near the Fermi level. The boron mass and pressure dependence of thos mode is found to be the key to quantitatively explaining the observed high Tc and other superconducting properties of mgB2
Citation
Applied Physics A-Materials Science & Processing

Keywords

first-principles calculations, isotope effect, MgB2, neutron scattering, superconductivity

Citation

Yildirim, T. and Gulseren, O. (2017), First-Principles Zone-Center Theory of Superconductivity in MgB<sub>2</sub>, Applied Physics A-Materials Science & Processing (Accessed March 3, 2024)
Created February 19, 2017