Physics – Condensed Matter – Superconductivity
Scientific paper
2007-02-27
Physics
Condensed Matter
Superconductivity
Scientific paper
Structures for realizing hole-doped MgB$_2$ without appealing to chemical substitutions are proposed. These structures which consist of alternating MgB$_2$ and graphene layers have small excess energy compared to bulk graphite and MgB$_2$. Density functional theory based first-principles electronic structure calculations show significant charge transfer from the MgB$_2$ layer to graphene, resulting in effectively hole-doped MgB$_2$. Substantial enhancement in the density of states at the Fermi level of the proposed structure is predicted.
Cohen Marvin L.
Louie Steven G.
Saito Susumu
Zhang Peihong
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