Journal
PHYSICAL REVIEW B
Volume 77, Issue 5, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.77.052501
Keywords
-
Funding
- Grants-in-Aid for Scientific Research [19054005] Funding Source: KAKEN
Ask authors/readers for more resources
Structures for realizing hole-doped MgB2 without appealing to chemical substitutions are proposed. These structures that consist of alternating MgB2 and graphene layers have small excess energy compared to bulk graphite and MgB2. Density functional theory based first-principles electronic structure calculations show significant charge transfer from the MgB2 layer to graphene, resulting in effectively hole-doped MgB2 and electron-doped graphene. Substantial enhancement in the density of states at the Fermi level and significant in-plane lattice expansion of the proposed structures are predicted. These structures combines three important factors, namely, hole doping, high density of states at the Fermi level, and in-plane lattice expansion, that are favorable for a strong electron-phonon coupling.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available