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Surface states in bulk single crystal of topological semimetal Co$_3$Sn$_2$S$_2$ towards water oxidation

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 Added by Lin Jiao
 Publication date 2019
  fields Physics
and research's language is English




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The band inversion in topological phase matters bring exotic physical properties such as the emergence of a topologically protected surface states. They strongly influence the surface electronic structures of the investigated materials and could serve as a good platform to gain insight into the catalytic mechanism of surface reactions. Here we synthesized high-quality bulk single crystals of the topological semimetal Co$_3$Sn$_2$S$_2$. We found that at room temperature, Co$_3$Sn$_2$S$_2$ naturally hosts the band structure of a topological semimetal. This guarantees the existence of robust surface states from the Co atoms. Bulk single crystal of Co$_3$Sn$_2$S$_2$ exposes their Kagome lattice that constructed by Co atoms and have high electrical conductivity. They serves as catalytic centers for oxygen evolution process (OER), making bonding and electron transfer more efficient due to the partially filled $e_g$ orbital. The bulk single crystal exhibits outstanding OER catalytic performance, although the surface area is much smaller than that of Co-based nanostructured catalysts. Our findings emphasize the importance of tailoring topological non-trivial surface states for the rational design of high-activity electrocatalysts.



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426 - Qiunan Xu , Enke Liu , Wujun Shi 2017
Very recently, the half-metallic compound Co$_3$Sn$_2$S$_2$ was predicted to be a magnetic WSM with Weyl points only 60 meV above the Fermi level ($E_F$). Owing to the low charge carrier density and large Berry curvature induced, Co$_3$Sn$_2$S$_2$ possesses both a large anomalous Hall conductivity (AHC) and a large anomalous Hall angle (AHA), which provide strong evidence for the existence of Weyl points in Co$_3$Sn$_2$S$_2$. In this work, we theoretically studied the surface topological feature of Co$_3$Sn$_2$S$_2$ and its counterpart Co$_3$Sn$_2$Se$_2$. By cleaving the sample at the weak Sn-S/Se bonds, one can achieve two different surfaces terminated with Sn and S/Se atoms, respectively. The resulting Fermi arc related states can range from the energy of the Weyl points to $E_F$-0.1 eV in the Sn-terminated surface. Therefore, it should be possible to observe the Fermi arcs in angle-resolved photoemission spectroscopy (ARPES) measurements. Furthermore, in order to simulate quasiparticle interference (QPI) in scanning tunneling microscopy (STM) measurements, we also calculated the joint density of states (JDOS), which revealed that the QPI patterns arising from Fermi arc related scatterings are clearly visible for both terminals. This work would be helpful for a comprehensive understanding of the topological properties of these two magnetic WSMs and further ARPES and STM measurements.
Weyl semimetals with time reversal symmetry breaking are expected to show various fascinating physical behaviors, such as intrinsic giant anomalous Hall effect, chiral anomaly effect in the bulks, and Fermi arcs on the surfaces. Here we report a scanning tunneling microscopy study on the magnetic Weyl semimetal candidate Co$_3$Sn$_2$S$_2$. According to the morphology and local density of states of the surface, we provide assignments to different surface terminations. The measured local density of states reveals a semimetal gap of ~300 mV, which is further verified as the gap in spin-minority bands using spin-resolved tunneling spectra. Additionally, signature for the nontrivial surface states around 50 mV is proposed. This is further confirmed by the observations of standing waves around a step-edge of the sample. Our observations and their comparison with band structure calculations provide direct yet timely evidence for the bulk and surface band structures of the magnetic Weyl semimetal Co$_3$Sn$_2$S$_2$.
We study the anomalous Hall Effect (AHE) of single-crystalline Co$_3$Sn$_{2-x}$In$_x$S$_2$ over a large range of indium concentration x from 0 to 1. Their magnetization reduces progressively with increasing x while their ground state evolves from a ferromagnetic Weyl semimetal into a nonmagnetic insulator. Remarkably, after systematically scaling the AHE, we find that their intrinsic anomalous Hall conductivity (AHC) features an unexpected maximum at around x = 0.15. The change of the intrinsic AHC corresponds with the doping evolution of Berry curvature and the maximum arises from the magnetic topological nodal-ring gap. Our experimental results show a larger AHC in a fundamental nodal-ring gap than that of Weyl nodes.
The search for novel topological phases of matter in quantum magnets has emerged as a frontier of condensed matter physics. Here we use state-of-the-art angle-resolved photoemission spectroscopy (ARPES) to investigate single crystals of Co$_3$Sn$_2$S$_2$ in its ferromagnetic phase. We report for the first time signatures of a topological Weyl loop. From fundamental symmetry considerations, this magnetic Weyl loop is expected to be gapless if spin-orbit coupling (SOC) is strictly zero but gapped, with possible Weyl points, under finite SOC. We point out that high-resolution ARPES results to date cannot unambiguously resolve the SOC gap anywhere along the Weyl loop, leaving open the possibility that Co$_3$Sn$_2$S$_2$ hosts zero Weyl points or some non-zero number of Weyl points. On the surface of our samples, we further observe a possible Fermi arc, but we are unable to clearly verify its topological nature using the established counting criteria. As a result, we argue that from the point of view of photoemission spectroscopy the presence of Weyl points and Fermi arcs in Co$_3$Sn$_2$S$_2$ remains ambiguous. Our results have implications for ongoing investigations of Co$_3$Sn$_2$S$_2$ and other topological magnets.
Recent experimental realizations of the topological semimetal states in several monolayer systems are very attractive because of their exotic quantum phenomena and technological applications. Based on first-principles density-functional theory calculations including spin-orbit coupling, we here explore the drastically different two-dimensional (2D) topological semimetal states in three monolayers Cu$_2$Ge, Fe$_2$Ge, and Fe$_2$Sn, which are isostructural with a combination of the honeycomb Cu or Fe lattice and the triangular Ge or Sn lattice. We find that (i) the nonmagnetic (NM) Cu$_{2}$Ge monolayer having a planar geometry exhibits the massive Dirac nodal lines, (ii) the ferromagentic (FM) Fe$_2$Ge monolayer having a buckled geometry exhibits the massive Weyl points, and (iii) the FM Fe$_2$Sn monolayer having a planar geometry and an out-of-plane magnetic easy axis exhibits the massless Weyl nodal lines. It is therefore revealed that mirror symmetry cannot protect the four-fold degenerate Dirac nodal lines in the NM Cu$_{2}$Ge monolayer, but preserves the doubly degenerate Weyl nodal lines in the FM Fe$_{2}$Sn monolayer. Our findings demonstrate that the interplay of crystal symmetry, magnetic easy axis, and band topology is of importance for tailoring various 2D topological states in Cu$_2$Ge, Fe$_2$Ge, and Fe$_2$Sn monlayers.
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