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Issue 3, 2018
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Intermetallic Ca3Pb: a topological zero-dimensional electride material

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Abstract

Based on first-principles calculations, we report the concept of topological electride materials in this paper. It is found that the intermetallic Ca3Pb compound is a zero-dimensional electride, where the excess electrons are well localized at the 1b (0.5,0.5,0.5) lattice voids. These localized electrons serve as anions in the positively charged crystalline framework. Besides the electride properties, intermetallic Ca3Pb is also a topological material containing various types of fermionic states. The topological and electride properties of Ca3Pb are robust upon lattice distortions, which are available for practical applications. The quantum phenomena/effects from the fermionic states (e.g. quantum magnetoresistance and momentum-space Klein tunneling effect in Dirac and Weyl materials) in topological electrides are expected to be more pronounced than in conventional topological materials, because of their loosely bound conducting electrons. The current work opens a new research perspective by combining the nature of topological and electride materials.

Graphical abstract: Intermetallic Ca3Pb: a topological zero-dimensional electride material

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Publication details

The article was received on 02 Nov 2017, accepted on 13 Dec 2017 and first published on 03 Jan 2018


Article type: Paper
DOI: 10.1039/C7TC04989G
Citation: J. Mater. Chem. C, 2018,6, 575-581
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    Intermetallic Ca3Pb: a topological zero-dimensional electride material

    X. Zhang, R. Guo, L. Jin, X. Dai and G. Liu, J. Mater. Chem. C, 2018, 6, 575
    DOI: 10.1039/C7TC04989G

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