Absence of superconductivity in the high-pressure polymorph of MgB2
Yanming Ma, Yanchao Wang, Artem R. Oganov
DOI 10.1103/PhysRevB.79.054101 · Physical Review B
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Abstract
We report a high-pressure orthorhombic KHg2-type polymorph (space group Imma, 4 f.u./cell) of MgB2 stable above 190 GPa predicted through ab-initio evolutionary simulations. The formation of this new phase results from the strong out-of-plane distortions of the two-dimensional honeycomb boron sublattice of the low-pressure AlB2-type structure creating a peculiar tetrahedrally bonded three-dimensional boron network. This high-pressure phase is a weak metal and not superconducting, re-highlighting the key role of the planar boron sublattice in forming the superconducting state and clear structure-property relations that can enable design of new superconductors.
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 unresolved | unknown |
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