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

Yi, Xizhang; Li, W. Q.; Li, Z. H.; Zhou, Pan; Ma, Zengsheng; Sun, L. Z.

doi:10.1039/c9tc04096j

Cited by 34 publications

(32 citation statements)

References 75 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Topological nodal point semimetals (Hosur et al, 2012 ; Zyuzin and Burkov, 2012 ; Hosur and Qi, 2013 ; Vazifeh and Franz, 2013 ; Liu et al, 2014 ; Lundgren et al, 2014 ; Kobayashi and Sato, 2015 ; Miransky and Shovkovy, 2015 ; Xu et al, 2015a ; Young and Kane, 2015 ) enjoy 0-D nodal points in momentum space. Topological nodal line semimetals (Cai et al, 2018 ; Chen et al, 2018 ; Gao et al, 2018 ; Zhou et al, 2018 ; He et al, 2019 ; Jin et al, 2019a ; Pham et al, 2019 ; Yi et al, 2019 ; Zou et al, 2019 ; Zhao et al, 2020 ) host 1-D topological nodal lines in momentum space via band crossing along a line in momentum space. Topological nodal surface semimetals (Wu et al, 2018 ; Zhang et al, 2018 ; Fu et al, 2019a ; Qie et al, 2019 ; Yang et al, 2020 ) host 2-D nodal surface states that are composed of continuous band crossing points.…”

Section: Introductionmentioning

confidence: 99%

The Tetragonal Monoxide of Platinum: A New Platform for Investigating Nodal-Line and Nodal-Point Semimetallic Behavior

Xia

Srivastava

2020

Front. Chem.

View full text Add to dashboard Cite

The search for new topological materials that are realistic to synthesize has attracted increasing attention. In this study, we systematically investigated the electronic, mechanical, and topological semimetallic properties, as well as the interesting surface states, of the tetragonal monoxide of platinum, which is realistic to synthesize, via a first-principles approach. Our calculated results indicate that PtO is a novel topological semimetal with double nodal lines in the k z = 0 plane and a pair of triple topological nodal points along the A'-M-A directions. Obvious surface states, including Fermi arc and drum-head-like surfaces, could be found around nodal points and nodal lines. The dynamic and mechanical stabilities of P4 2 /mmc-type PtO were examined in detail via calculation of the phonon dispersion and determination of elastic constants, respectively. Some other mechanical properties, including the bulk modulus, Young's modulus, shear modulus, Poisson's ratio, and Pugh's index, were considered in this study. P4 2 /mmc-type PtO provides a good research platform for investigation of novel behaviors that combine mechanical properties and rich topological elements.

show abstract

Section: Introductionmentioning

confidence: 99%

The Tetragonal Monoxide of Platinum: A New Platform for Investigating Nodal-Line and Nodal-Point Semimetallic Behavior

Xia

Srivastava

2020

Front. Chem.

View full text Add to dashboard Cite

show abstract

“…Topological semimetals and topological metals (Fang et al, 2016 ; Yan and Felser, 2017 ; Schoop et al, 2018 ; Zhou et al, 2018 ; Gao et al, 2019 ; Hu et al, 2019 ; Klemenz et al, 2019 ; Pham et al, 2019 ; Xie et al, 2019 ; Yi et al, 2019 ) have been widely investigated because they can be regarded as good candidates for use in the areas of spintronics and quantum computers. Weyl and Dirac materials (Ouyang et al, 2016 ; Zhong et al, 2016 ; Zhou et al, 2016 ; Liu et al, 2017 ; Fu et al, 2018 ; Meng et al, 2019 , 2020a ; Zhang et al, 2020 ), which host 2-fold and fourfold degenerate band-crossing points, have been explored in real materials and their exotic properties have been confirmed in experiments.…”

Section: Introductionmentioning

confidence: 99%

Pure Zirconium: Type II Nodal Line and Nodal Surface States

Zhang

Wang

2020

Front. Chem.

View full text Add to dashboard Cite

Type II nodal line states have novel properties, such as direction-reliant chiral anomalies and high anisotropic negative magneto-resistance. These type II nodal line states have been widely investigated. Compared to nodal line materials, there are far fewer proposed nodal surface materials, and furthermore, a very recent challenge is to find a realistic material that co-exhibits both nodal line and nodal surface states. In this manuscript, we present the study of the electronic and topological states of pure zirconium within the density functional theory. We found that pure Zr is an interesting material that rarely exhibits both the type II nodal line state (in k z = 0 plane) and nodal surface state (in k z = π plane). The nontrivial topological states are explained based on the orbital-resolved band structures. Our study shows that pure Zr can serve as a new platform to investigate the interplay between the nodal line state and the nodal surface state.

show abstract

“…Wu et al (2018) proposed a new class of topological bulk materials, 3D nodal surface semimetals. They are topological materials with 2D nodal surface states, which are different from topological semimetals with a 0D nodal point (Soluyanov et al, 2015;Young and Kane, 2015;Kumar et al, 2017;Jin K. et al, 2019) and 1D nodal line (Chen et al, 2018;Liu et al, 2018;Zhou et al, 2018;He et al, 2019;Jin L. et al, 2019;Pham et al, 2019;Yan et al, 2019;Yi et al, 2019;Zou et al, 2019;Zhao et al, 2020). To date, only a few nodal surface semimetals (Wu et al, 2018) have been the subject of theoretical investigations.…”

Section: Introductionmentioning

confidence: 99%

Hypothetical P63/mmc-Type CsCrCl3 Ferromagnet: Half-Metallic Property and Nodal Surface State

2020

Front. Mater.

View full text Add to dashboard Cite

This work focuses on the electronic, magnetic, and half-metallic behaviors and interesting surface state of a hypothetical CsCrCl 3 ferromagnet with a P6 3 /mmc space group, investigated using the spin-polarized generalized gradient approach (GGA) and spin-polarized GGA plus Hubbard U correction within the framework of density functional theory. The calculated total magnetic moment of P6 3 /mmc CsCrCl 3 is ∼7.397 µ B , and the main contribution to the total magnetism is from the Cr atoms. Based on the obtained spin-polarized band structures, we confirm that this hypothetical CsCrCl 3 ferromagnet is a half-metal with 100% spin-polarization. Without spin-orbit coupling, i.e., when the spin and orbit degrees of freedom are dependent, we found an interesting nodal surface state at the k z = π plane due to the P6 3 /mmc type lattice structure having a twofold screw axis S 2z. Our study provides strong evidence that a protected nodal surface state can be achieved in magnetic materials.

show abstract

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.

Cited by 34 publications

References 75 publications

The Tetragonal Monoxide of Platinum: A New Platform for Investigating Nodal-Line and Nodal-Point Semimetallic Behavior

The Tetragonal Monoxide of Platinum: A New Platform for Investigating Nodal-Line and Nodal-Point Semimetallic Behavior

Pure Zirconium: Type II Nodal Line and Nodal Surface States

Hypothetical P63/mmc-Type CsCrCl3 Ferromagnet: Half-Metallic Property and Nodal Surface State

Contact Info

Product

Resources

About