Superconducting Properties of MgB2 from First Principles
A. Floris, G. Profeta, N. N. Lathiotakis, M. Lüders, M. A. L. Marques, C. Franchini, E. K. U. Gross, A. Continenza, S. Massidda
DOI 10.1103/PhysRevLett.94.037004 · Physical Review Letters
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Abstract
Solid MgB2 has rather interesting and technologically important properties, such as a very high superconducting transition temperature. Focusing on this compound, we report the first nontrivial application of a novel density-functional-type theory for superconductors, recently proposed by the authors. Without invoking any adjustable parameters, we obtain the transition temperature, the gaps, and the specific heat of MgB2 in very good agreement with experiment. Moreover, our calculations show how the Coulomb interaction acts differently on σ and π states, thereby stabilizing the observed superconducting phase.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 34.1 | Pressure not reported | unknown |
| MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 39.5 | Pressure not reported | unknown |
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