Topological dual double node-line semimetals NaAlSi(Ge) and their potential as cathode material for sodium ion batteries. Issue 48 (27th November 2019)

• Record Type: Journal Article
• Authors: Yi, X.; Li, W. Q.; Li, Z. H.; Zhou, P.; Ma, Z. S.; Sun, L. Z.
• Is Part Of: Journal of materials chemistry. Volume 7:Issue 48(2019)
• Page Start: 15375
• Page End: 15381
• Publication Date: 2019-11-27
• Subjects: Materials -- Periodicals; Chemistry, Analytic -- Periodicals; Optical materials -- Research -- Periodicals; Electronics -- Materials -- Research -- Periodicals; 543.0284
• DOI: 10.1039/c9tc04096j
• Languages: English
• ISSNs: 2050-7526

Abstract

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. 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 k z = 0 and k z = 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.