Single-layer superconductors are ideal materials for fabricating superconducting nano devices. However, up to date, very few single-layer elemental superconductors have been predicted and especially no one has been successfully synthesized yet. Here, using crystal structure search techniques and ab initio calculations, we predict that a single-layer planar carbon sheet with 4-and 8-membered rings called T -graphene is a new intrinsic elemental superconductor with superconducting critical temperature (Tc) up to around 20.8 K. More importantly, we propose a synthesis route to obtain such a single-layer T -graphene, that is, a T -graphene potassium intercalation compound (C4K with P 4/mmm symmetry) is firstly synthesized at high pressure (> 11.5 GPa) and then quenched to ambient condition; and finally, the single-layer T -graphene can be either exfoliated using the electrochemical method from the bulk C4K, or peeled off from bulk T -graphite C4, where C4 can be obtained from C4K by evaporating the K atoms. Interestingly, we find that the calculated Tc of C4K is about 30.4 K at 0 GPa, which sets a new record for layered carbon-based superconductors. The present findings add a new class of carbon-based superconductors. In particular, once the single-layer T -graphene is synthesized, it can pave the way for fabricating superconducting devices together with other 2D materials using the layer-by-layer growth techniques. arXiv:1908.01302v1 [cond-mat.mtrl-sci]

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Tunable symmetry breaking plays a crucial role for the manipulation of topological phases of quantum matter. Here, through combined high-pressure magneto-transport measurements, Raman spectroscopy, and X-ray diffraction, we demonstrate a pressure-induced topological phase transition in nodal-line semimetal ZrSiS.Symmetry analysis and first-principles calculations suggest that this pressure-induced topological phase transition may be attributed to weak lattice distortions by non-hydrostatic compression, which breaks some crystal symmetries, such as the mirror and inversion symmetries. This finding provides some experimental evidence for crystal symmetry protection for the topological semimetal state, which is at the heart of topological relativistic fermion physics.

It has recently been found that nonsymmorphic symmetries can bring many exotic band crossings. Here, based on symmetry analysis, we predict that materials with time-reversal symmetry in the space group of Pbca (No. 61) possess rich symmetry-enforced band crossings, including nodal surfaces, fourfold degenerate nodal lines and hourglass Dirac loops, which appear in triplets as ensured by the cyclic permutation symmetry. We take Pbca AgF 2 as an example in real systems and studied its band structures with ab initio calculations. Specifically, in the absence of spin-orbit coupling (SOC), besides the above-mentioned band degeneracies, this system features a nodal chain and a nodal armillary sphere penetrating the Brillouin zone (BZ). While with SOC, we find a new configuration of the hourglass Dirac loop/chain with the feature traversing the BZ, which originates from the splitting of a Dirac loop confined in the BZ. Furthermore, guided by the bulk-surface correspondence, we calculated the surface states to explore these bulk nodal phenomena. The evolution of these interesting nodal phenomena traversing the BZ under two specific uniaxial strains is also discussed.npj Computational Materials (2019) 5:53 ; https://doi.