Issue 48, 2019

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

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

Supplementary files

Article information

Article type
Paper
Submitted
27 Jul 2019
Accepted
28 Oct 2019
First published
05 Nov 2019

J. Mater. Chem. C, 2019,7, 15375-15381

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, 7, 15375 DOI: 10.1039/C9TC04096J

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