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Register a new userPrediction of topological superconductivity in 1$T$-TiTe$_2$ under pressure
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Topological superconductivity has attracted intensive interest for its ability of hosting Majorana zero mode and implementing in topological quantum computations. Based on the first-principles calculations and the analysis of the effective BdG Hamiltonian, we demonstrate that 1$T$-TiTe$_2$ is a topological metal hosting Dirac cone type of surface states near the Fermi level, and it exhibits a normal-topological-normal superconductivity phase transition as a function of the chemical potential. These results point out a new promising topological superconductor without random dopant, in which the influence of the impurity may be greatly reduced. Furthermore, our calculations also suggest that the transition metal intercalated Ti(Se$_{1-y}$Te$_y$)$_2$ is also a highly possible route to realize TSC and MZMs.
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Superconductivity of transition metal dichalcogenide $1T$-TiTe$_2$ under high pressure was investigated by the first-principles calculations. Our results show that the superconductivity of $1T$-TiTe$_2$ exhibits very different behavior under the hydrostatic and uniaxial pressure. The hydrostatic pressure is harmful to the superconductivity, while the uniaxial pressure is beneficial to the superconductivity. Superconducting transition temperature $T_C$ at ambient pressure is 0.73 K, and it reduces monotonously under the hydrostatic pressure to 0.32 K at 30 GPa. While the $T_C$ increases dramatically under the uniaxial pressure along $c$ axis. The established $T_C$ of 6.34 K under the uniaxial pressure of 17 GPa, below which the structural stability maintains, is above the liquid helium temperature of 4.2 K. The increase of density of states at Fermi level, the redshift of $F(omega)$/$alpha^2F(omega)$ and the softening of the acoustic modes with pressure are considered as the main reasons that lead to the enhanced superconductivity under uniaxial pressure. In view of the previously predicted topological phase transitions of $1T$-TiTe$_2$ under the uniaxial pressure [Phys. Rev. B 88, 155317 (2013)], we consider $1T$-TiTe$_2$ as a possible candidate in transition metal chalcogenides for exploring topological superconductivity.
Bi2Te3 compound has been theoretically predicted (1) to be a topological insulator, and its topologically non-trivial surface state with a single Dirac cone has been observed in photoemission experiments (2). Here we report that superconductivity (Tc^~3K) can be induced in Bi2Te3 as-grown single crystal (with hole-carriers) via pressure. The first-principles calculations show that the electronic structure under pressure remains to be topologically nontrivial, and the Dirac-type surface states can be well distinguished from bulk states at corresponding Fermi level. The proximity effect between superconducting bulk states and Dirac-type surface state could generate Majorana fermions on the surface. We also discuss the possibility that the bulk state could be a topological superconductor.
Recently monolayer jacutingaite (Pt2HgSe3), a naturally occurring exfoliable mineral, discovered in Brazil in 2008, has been theoretically predicted as a candidate quantum spin Hall system with a 0.5 eV band gap, while the bulk form is one of only a few known dual-topological insulators which may host different surface states protected by symmetries. In this work, we systematically investigate both structure and electronic evolution of bulk Pt2HgSe3 under high pressure up to 96 GPa. The nontrivial topology persists up to the structural phase transition observed in the high-pressure regime. Interestingly, we found that this phase transition is accompanied by the appearance of superconductivity at around 55 GPa and the critical transition temperature Tc increases with applied pressure. Our results demonstrate that Pt2HgSe3 with nontrivial topology of electronic states displays new ground states upon compression and raises potentials in application to the next-generation spintronic devices.
Here we use low-temperature scanning tunneling microscopy and spectroscopy to reveal the roles of the narrow electronic band in two 1$T$-TaS$_2$ related materials (bulk 1$T$-TaS$_2$ and 4$H_{rm b}$-TaS$_2$). 4$H_{rm b}$-TaS$_2$ is a superconducting compound with alternating 1$T$-TaS$_2$ and 1$H$-TaS$_2$ layers, where the 1$H$-TaS$_2$ layer has weak charge density wave (CDW) pattern and reduces the CDW coupling between the adjacent 1$T$-TaS$_2$ layers. In the 1$T$-TaS$_2$ layer of 4$H_{rm b}$-TaS$_2$, we observe a narrow electronic band located near Fermi level, and its spatial distribution is consistent with the tight-binding calculations for two-dimensional 1$T$-TaS$_2$ layers. The weak electronic hybridization between the 1$T$-TaS$_2$ and 1$H$-TaS$_2$ layers in 4$H_{rm b}$-TaS$_2$ shifts the narrow electronic band to be slightly above the Fermi level, which suppresses the electronic correlation induced band splitting. In contrast, in bulk 1$T$-TaS$_2$, there is an interlayer CDW coupling induced insulating gap. In comparison with the spatial distributions of the electronic states in bulk 1$T$-TaS$_2$ and 4$H_{rm b}$-TaS$_2$, the insulating gap in bulk 1$T$-TaS$_2$ results from the formation of a bonding band and an antibonding band due to the overlap of the narrow electronic bands in the dimerized 1$T$-TaS$_2$ layers.
Recent discovery of superconductivity in CeRh$_2$As$_2$ clarified an unusual $H$-$T$ phase diagram with two superconducting phases [Khim et al. arXiv:2101.09522]. The experimental observation has been interpreted based on the even-odd parity transition characteristic of locally noncentrosymmetric superconductors. Indeed, the inversion symmetry is locally broken at the Ce site, and CeRh$_2$As$_2$ molds a new class of exotic superconductors. The low-temperature and high-field superconducting phase is a candidate for the odd-parity pair-density-wave state, suggesting a possibility of topological superconductivity as spin-triplet superconductors are. In this paper, we first derive the formula expressing the $mathbb{Z}_2$ invariant of glide symmetric and time-reversal symmetry broken superconductors by the number of Fermi surfaces on a glide invariant line. Next, we conduct a first-principles calculation for the electronic structure of CeRh$_2$As$_2$. Combining the results, we show that the field-induced odd-parity superconducting phase of CeRh$_2$As$_2$ is a platform of topological crystalline superconductivity protected by the nonsymmorphic glide symmetry and accompanied by boundary Majorana fermions.
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