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Understanding Doping, Vacancy, Lattice Stability, and Superconductivity in K x Fe2-y Se2.

ABSTRACT: Metal-intercalated iron selenides are a class of superconductors that have received much attention but are less understood in comparison with their FeAs-based counterparts. Here, the controversial issues such as Fe vacancy, the real phase responsible for superconductivity, and lattice stability have been addressed based on first-principles calculations. New insights into the distinct features in terms of carrier doping have been revealed.

SUBMITTER: Liu Y 

PROVIDER: S-EPMC5096254 | biostudies-literature |

REPOSITORIES: biostudies-literature

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