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arxiv: cond-mat/0702625 · v1 · submitted 2007-02-27 · ❄️ cond-mat.supr-con · cond-mat.mtrl-sci

Hole doping MgB₂ without chemical substitution

classification ❄️ cond-mat.supr-con cond-mat.mtrl-sci
keywords chemicaldensitygraphenehole-dopedproposedstructurestructureswithout
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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.

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