Body-Centered Orthorhombic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>16</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: A Novel Topological Node-Line Semimetal

Wang, Jian Tao; Weng, Hongming; Nie, Simin; Fang, Zhong; Kawazoe, Yoshiyuki; Chen, Changfeng

doi:10.1103/physrevlett.116.195501

Cited by 188 publications

(122 citation statements)

References 63 publications

(66 reference statements)

Supporting

Mentioning

108

Contrasting

Order By: Relevance

“…With all of these extraordinary characteristics, bco-C 16 should have a great potential to be applied as anode material for LIBs. It is encouraging to note the possible presence of boc-C 16 phase in detonation and chimney soot as suggested by an excellent match between the simulated and measured X-ray diffraction patterns (23). We hope that the present study can stimulate further experimental effort on this subject to develop all-carbon-based porous structures with conducting topological properties for novel LIB anode materials.…”

Section: Discussionsupporting

confidence: 61%

See 1 more Smart Citation

All-carbon-based porous topological semimetal for Li-ion battery anode material

Liu

Wang

Sun

2017

Proc. Natl. Acad. Sci. U.S.A.

131

View full text Add to dashboard Cite

Topological state of matter and lithium batteries are currently two hot topics in science and technology. Here we combine these two by exploring the possibility of using all-carbon-based porous topological semimetal for lithium battery anode material. Based on density-functional theory and the cluster-expansion method, we find that the recently identified topological semimetal bco-C 16 is a promising anode material with higher specific capacity (Li-C 4 ) than that of the commonly used graphite anode (Li-C 6 ), and Li ions in bco-C 16 exhibit a remarkable one-dimensional (1D) migration feature, and the ion diffusion channels are robust against the compressive and tensile strains during charging/discharging. Moreover, the energy barrier decreases with increasing Li insertion and can reach 0.019 eV at high Li ion concentration; the average voltage is as low as 0.23 V, and the volume change during the operation is comparable to that of graphite. These intriguing theoretical findings would stimulate experimental work on topological carbon materials.carbon materials | topological semimetal | Li-ion battery | anode W ith the growing demand for portable energy sources, it is more and more urgent to improve the present lithium-ion batteries (LIBs) (1, 2). Apart from the cathode and electrolyte, the anode as one of the most important parts in LIBs has been extensively explored for better performance (3, 4). Although the graphite anode has good stability and low cost, its theoretical maximum specific capacity is only 372 mAh/g, which cannot meet the higher requirements of current and future technologies such as advanced electrical vehicles (5). Therefore, efforts have been devoted to finding new candidates with larger specific capacity. Among them, Si-and P-based materials are considered as promising candidates because their specific capacities can reach as high as 4,200 and 2,596 mAh/g (6, 7), respectively, which are much higher than that of the graphite anode. However, they both suffer from the poor reversibility caused by huge volume expansion (Si > 300%; P > 300%) and slow rate capability caused by low electronic conductivity (8, 9). Although the electrochemical performances can be improved via the thin-film technique, porous structures, nanotube/nanowire arrays, carbon coating, etc. (10, 11), the complex synthetic procedures and high fabrication costs prevent their practical applications. Thus, it remains a great challenge to develop an anode material with high capacity, good stability, and fast kinetics as well as low cost.Considering the abundance in resources, flexibility in bonding, and variety in morphology (12, 13), carbon materials have some unique advantages in anode applications. In fact, graphene, carbon nanotubes (CNTs), carbon nanofibers (CNFs), carbon nanorings, and porous carbon (14-16) have been extensively explored for this purpose (17, 18). For instance, pristine graphene shows a weak adsorption of Li and has low capacity whereas defective graphene can bind Li stably and has a higher capacity than gra...

show abstract

Section: Discussionsupporting

confidence: 61%

“…Here we show that the predicted 3D topological semimetal carbon structure bco-C 16 can be such a system (23), in which all carbon atoms are sp 2 -bonded with ordered 1D channels, as seen from Fig. 1, providing good binding sites and efficient diffusion channels for Li ions.…”

mentioning

confidence: 60%

All-carbon-based porous topological semimetal for Li-ion battery anode material

Liu

Wang

Sun

2017

Proc. Natl. Acad. Sci. U.S.A.

131

View full text Add to dashboard Cite

show abstract

“…With strong spin-orbit coupling (SOC), the nodal lines in these materials are either protected by reflection or mirror symmetry, or gapped out due to the lack of such symmetries [18][19][20][21][22]. Recent examples/promising candidates of NLSM include Pb(Tl)TaSe 2 [23,24], ZrSiX (X = S, Se, Te) [25,26], CaP 3 [27], Ca 3 P 2 [28], BaSn 2 [29], Ag 2 S [30], CaTe [31], Cu 3 PdN [32], GdSbTe [33], body-centered orthorhombic C 16 [34], compressed black phosphorus [35], etc. However, the band structures of these materials are often so complex that multiple irrelevant trivial or nontrivial pockets coexist with the drumlike surface states at the Fermi level, masking the quantum transport signals from the nodal lines.…”

mentioning

confidence: 99%

Topological surface electronic states in candidate nodal-line semimetal CaAgAs

Wang

Emmanouilidou

et al. 2017

Phys. Rev. B

View full text Add to dashboard Cite

We investigate systematically the bulk and surface electronic structure of the candidate nodal-line semimetal CaAgAs by angle-resolved photoemission spectroscopy and density functional calculations. We observed a metallic, linear, non-k z -dispersive surface band that coincides with the high-binding-energy part of the theoretical topological surface state, proving the topological nontriviality of the system. An overall downshift of the experimental Fermi level points to a rigid-band-like p doping of the samples, due possibly to Ag vacancies in the as-grown crystals. DOI: 10.1103/PhysRevB.96.161112 The discovery of topologically nontrivial systems has dominated the field of condensed matter physics over the past decade. Unique nontrivial topological properties in these fermionic systems relate concepts from high-energy physics to various quasiparticle excitations in condensed matter, causing the systems to resist small perturbations due to the protection by particular topological invariants [1,2]. In the so-called topological semimetals, such nontrivialities appear as the touching of valence and conduction bands at isolated points, closed lines, or planes in momentum space. Such materials exhibit chiral anomaly [3,4], topological surface Fermi arcs [5][6][7][8][9][10][11][12][13], and/or superconducting zero modes [14][15][16], whose quasiparticle excitations correspond directly to the Dirac, Weyl, and Majorana fermions. These quasiparticles differ from the actual entities in high-energy physics, but obey the same underlying principles in quantum field theory, offering the opportunity to investigate the fundamental physical laws that govern a large subset of quantum condensed matter as well as creating a new approach for developing a broad range of low-power, high-efficiency spintronic and quantum computing devices [1,2,17].Topological nodal-line semimetals (NLSMs) exhibit novel topological properties that are manifested by surface states in the form of a drumlike membrane living in the continuous toroidal isosurface gap in three-dimensional (3D) momentum space. With strong spin-orbit coupling (SOC), the nodal lines in these materials are either protected by reflection or mirror symmetry, or gapped out due to the lack of such symmetries [18][19][20][21][22] realizing a clean, "hydrogen-atom-like" NLSM is therefore of urgent need. Single-crystalline CaAgAs is theoretically predicted to be among the best candidate NLSMs since its theoretical Fermi surface contains no more than a circular nodal contour linked by the topological surface state [36], which gives rise to the ultralow magnetoresistance found by transport measurements [37]. In this Rapid Communication, we systematically investigate the NLSM state of CaAgAs which is solely protected by mirror reflection symmetry through a comparison between angle-resolved photoemission spectroscopy (ARPES) measurements and density functional theory (DFT) calculations. Our DFT calculations show that without SOC, a topological nodal ring enclosing appears in the first Bri...

show abstract

“…Naturally, there are also 3D honeycomb lattices [3][4][5][6][7][8][9][10][11][12][13][14], and their exotic properties have been explored, such as nodal line semimetal in body-centered orthorhombic C 16 [3], loop-nodal semimetal [7,9] and topological insulator [7] in the hyperhoneycomb lattice, nodal ring [14,15] and Weyl [14] spinons of interacting spin systems in the hyperhoneycomb and stripyhoneycomb lattices, and loop Fermi surface in other similar systems [16][17][18][19][20][21][22]. Based on these studies, Ezawa [23] proposed a wide class of 3D honeycomb lattices constructed by two building blocks.…”

mentioning

confidence: 99%

Weyl and Nodal Ring Magnons in Three-Dimensional Honeycomb Lattices

2017

Chinese Phys. Lett.

View full text Add to dashboard Cite

We study the topological properties of magnon excitations in a wide class of three dimensional (3D) honeycomb lattices with ferromagnetic ground states. It is found that they host nodal ring magnon excitations. These rings locate on the same plane in the momentum space. The rings can be gapped by Dzyaloshinskii-Moriya (DM) interactions to form two Weyl points with opposite charges. We explicitly discuss these physics in the simplest 3D honeycomb lattice, the hyperhoneycomb lattice and show drumhead and arc surface states in the nodal ring and Weyl phases, respectively, due to the bulk-boundary correspondence. PACS numbers: 75.30.Ds, 75.50.Dd, 75.70.Rf, 75.90.+w Introduction. Two dimensional (2D) honeycomb lattice can be realized in graphene, silicene and many other related materials. Its two Dirac points in the first Brillouin zone make it one of the most fascinating research field in condensed matter physics. When the spin-orbit interaction (SOI) is large, the band structure of the system is topologically nontrivial and becomes a topological insulator [1,2].Naturally, there are also 3D honeycomb lattices [3][4][5][6][7][8][9][10][11][12][13][14], and their exotic properties have been explored, such as nodal line semimetal in body-centered orthorhombic C 16 [3], loop-nodal semimetal [7,9] and topological insulator [7] in the hyperhoneycomb lattice, nodal ring [14,15] and Weyl [14] spinons of interacting spin systems in the hyperhoneycomb and stripyhoneycomb lattices, and loop Fermi surface in other similar systems [16][17][18][19][20][21][22]. Based on these studies, Ezawa [23] proposed a wide class of 3D honeycomb lattices constructed by two building blocks. These 3D honeycomb lattices can display all loop-nodal semimetals which can be gapped to be strong topological insulators by SOI or point nodal semimetals by SOI together with an antiferromagnetic order.Recently, the topology of band has been extended to magnetic excitations as well [24][25][26][27][28][29][30][31][32][33], including magnon Chern insulators [24][25][26][27][28][29], Weyl magnons [30,31], magnon nodal-line semimetals [32] and Dirac magnons [33]. Interestingly, the magnon excitations on a 2D honeycomb lattice with a ferromagnetic ground state have two Dirac points in the first Brillouin zone [28], and a proper DM interaction can gap the system into a magnon Chern insulator, reminiscent of the role of SOI in the graphene [1,2]. Therefore, we can ask a natural question whether there exist magnon excitations on 3D honeycomb lattices with special properties such as nodal lines and nodal points, similar to those in electronic systems [23].In this paper, we provide an affirmative answer to the above question. Use the linear spin-wave approximation, we study the magnon excitations on the wide class of 3D honeycomb lattices proposed in [23]. We consider a Heisenberg model with isotropic nearest neighbor ferromagnetic exchange interactions. We find that all the 3D honeycomb lattices host magnon nodal rings located in the k z = 0 plane. Furthermore,...

show abstract

Body-Centered OrthorhombicC16: A Novel Topological Node-Line Semimetal

Cited by 188 publications

References 63 publications

All-carbon-based porous topological semimetal for Li-ion battery anode material

All-carbon-based porous topological semimetal for Li-ion battery anode material

Topological surface electronic states in candidate nodal-line semimetal CaAgAs

Weyl and Nodal Ring Magnons in Three-Dimensional Honeycomb Lattices

Contact Info

Product

Resources

About