Phys. Rev. Lett. 86, 4656–4659 (2001)Superconductivity of Metallic Boron in MgB2Received 29 January 2001; published in the issue dated 14 May 2001 Boron in MgB2 forms stacks of honeycomb layers with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with an ionic component and considerable metallic density of states yield a sizable electron-phonon coupling. Together with high phonon frequencies, which we estimate via zone-center frozen phonon calculations to be between 300 and 700cm-1, this produces a high critical temperature, consistent with recent experiments. Thus MgB2 can be viewed as an analog of the long sought, but still hypothetical, superconducting metallic hydrogen. © 2001 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.86.4656
DOI:
10.1103/PhysRevLett.86.4656
PACS:
74.20.Fg, 71.18.+y, 74.25.Jb, 74.70.Ad
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