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Topological dual double node-line semimetals NaAlSi(Ge) and their potential as cathode material for sodium ion batteries

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Abstract

Using a first-principles method and an effective model, we propose that the real material family NaAlSi(Ge) behaves as dual double node-line semimetals (DNLSs) with unconventional topological surface states. The dual DNLSs locate in kz = 0 and kz = π/a planes, respectively. Both of the DNLSs consist of homocentric two nodal lines: one is a type-I nodal line and the other one is a type-I nodal line embedded with four type-III nodal points. The type-III nodal points accompanied by a single-direction flat band are proposed to be a new platform for studying correlated phases. More intriguingly, because of the large proportion of Na ions, the NaAlSi(Ge) family is a potential candidate for topological sodium ion batteries (SIBs) with a high theoretical reversible capacity (476(238) mA h g−1) and suitable migration barrier.

Graphical abstract: Topological dual double node-line semimetals NaAlSi(Ge) and their potential as cathode material for sodium ion batteries

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Publication details

The article was received on 27 Jul 2019, accepted on 28 Oct 2019 and first published on 05 Nov 2019


Article type: Paper
DOI: 10.1039/C9TC04096J
J. Mater. Chem. C, 2019, Advance Article

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    Topological dual double node-line semimetals NaAlSi(Ge) and their potential as cathode material for sodium ion batteries

    X. Yi, W. Q. Li, Z. H. Li, P. Zhou, Z. S. Ma and L. Z. Sun, J. Mater. Chem. C, 2019, Advance Article , DOI: 10.1039/C9TC04096J

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