Superconductivity of MgB2: Covalent Bonds Driven Metallic
J. M. An, W. E. Pickett
DOI 10.1103/PhysRevLett.86.4366 · Physical Review Letters
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Abstract
A series of calculations on MgB2 and related isoelectronic systems indicates that the layer of Mg2+ ions lowers the nonbonding B π ( pz) bands relative to the bonding σ ( spxpy) bands compared to graphite, causing σ→π charge transfer and σ band doping of 0.13 holes/cell. Because of their two dimensionality the σ bands contribute strongly to the Fermi level density of states. Calculated deformation potentials of Γ point phonons identify the B bond stretching modes as dominating the electron-phonon coupling. Superconductivity driven by σ band holes is consistent with the report of destruction of superconductivity by doping with Al.
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. | 40 | Pressure not reported | unknown |
| HfNCl Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 25 | Pressure not reported | unknown |
| C60 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 52 | Pressure not reported | unknown |
| Nb Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 9 | Pressure not reported | unknown |
| La Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 13 | Pressure not reported | unknown |
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