Raman signatures of inversion symmetry breaking and structural phase transition in type-II Weyl semimetal MoTe2

Transition metal dichalcogenide MoTe$_2$ is an important candidate for realizing the newly predicted type-IIWeyl fermions, for which the breaking of the inversion symmetry is a prerequisite. Here we present direct spectroscopic evidence for the inversion symmetry breaking in the low temperature phase of MoTe$_2$ by systematic Raman experiments and first principles calculations. We identify five lattice vibrational modes which are Raman active only in noncentrosymmetric structure at low temperature. A hysteresis is also observed in the peak intensity of inversion symmetry activated Raman modes, confirming a temperature induced structural phase transition with a concomitant change in the inversion symmetry. Our results provide definitive evidence for the low temperature noncentrosymmetric T$_d$ phase from vibrational spectroscopy, and suggest MoTe$_2$ as an ideal candidate for investigating the temperature induced topological phase transition

High-pressure Raman study on the superconducting pyrochlore oxide Cd2Re2O7

The superconducting pyrochlore oxide Cd2Re2O7 (Tc = 1 K), which is now considered as a candidate of the spin-orbit-coupled metal, shows an inversion-symmetry-breaking structural transition at Ts1 = 200 K. Ts1 decreases with increasing pressure and disappears at around Pc = 4:2GPa, where at least four high-pressure phases with tiny structural distortions are suggested by means of powder X-ray diffraction [Yamaura PRB 2017]. We have carried out Raman scattering experiments to investigate changes in the crystal symmetry under high pressures up to 4.8 GPa. A structural transition at 1.9-3.0 GPa and the recovery of inversion symmetry above Pc are observed at 12 K

Janus monolayers of transition metal dichalcogenides.

Structural symmetry-breaking plays a crucial role in determining the electronic band structures of two-dimensional materials. Tremendous efforts have been devoted to breaking the in-plane symmetry of graphene with electric fields on AB-stacked bilayers or stacked van der Waals heterostructures. In contrast, transition metal dichalcogenide monolayers are semiconductors with intrinsic in-plane asymmetry, leading to direct electronic bandgaps, distinctive optical properties and great potential in optoelectronics. Apart from their in-plane inversion asymmetry, an additional degree of freedom allowing spin manipulation can be induced by breaking the out-of-plane mirror symmetry with external electric fields or, as theoretically proposed, with an asymmetric out-of-plane structural configuration. Here, we report a synthetic strategy to grow Janus monolayers of transition metal dichalcogenides breaking the out-of-plane structural symmetry. In particular, based on a MoS2 monolayer, we fully replace the top-layer S with Se atoms. We confirm the Janus structure of MoSSe directly by means of scanning transmission electron microscopy and energy-dependent X-ray photoelectron spectroscopy, and prove the existence of vertical dipoles by second harmonic generation and piezoresponse force microscopy measurements

Inverse Spin Hall Effect and Anomalous Hall Effect in a Two-Dimensional Electron Gas

We study the coupled dynamics of spin and charge currents in a two-dimensional electron gas in the transport diffusive regime. For systems with inversion symmetry there are established relations between the spin Hall effect, the anomalous Hall effect and the inverse spin Hall effect. However, in two-dimensional electron gases of semiconductors like GaAs, inversion symmetry is broken so that the standard arguments do not apply. We demonstrate that in the presence of a Rashba type of spin-orbit coupling (broken structural inversion symmetry) the anomalous Hall effect, the spin Hall and inverse spin Hall effect are substantially different effects. Furthermore we discuss the inverse spin Hall effect for a two-dimensional electron gas with Rashba and Dresselhaus spin-orbit coupling; our results agree with a recent experiment.Comment: 5 page

Direct observation of spin-polarised bulk bands in an inversion-symmetric semiconductor

Methods to generate spin-polarised electronic states in non-magnetic solids are strongly desired to enable all-electrical manipulation of electron spins for new quantum devices. This is generally accepted to require breaking global structural inversion symmetry. In contrast, here we present direct evidence from spin- and angle-resolved photoemission spectroscopy for a strong spin polarisation of bulk states in the centrosymmetric transition-metal dichalcogenide WSe$_2$. We show how this arises due to a lack of inversion symmetry in constituent structural units of the bulk crystal where the electronic states are localised, leading to enormous spin splittings up to $\sim\!0.5$ eV, with a spin texture that is strongly modulated in both real and momentum space. As well as providing the first experimental evidence for a recently-predicted `hidden' spin polarisation in inversion-symmetric materials, our study sheds new light on a putative spin-valley coupling in transition-metal dichalcogenides, of key importance for using these compounds in proposed valleytronic devices.Comment: 6 pages, 4 figure

First principles investigation of topological phase in XMR material TmSb under hydrostatic pressure

In this article, we report emergence of topological phase in XMR material TmSb under hydrostatic pressure using first principles calculations. We find that TmSb, a topologically trivial semimetal, undergoes a topological phase transition with band inversion at X point without breaking any symmetry under a hydrostatic pressure of 12 GPa. At 15 GPa, it again becomes topologically trivial with band inversion at $\Gamma$ as well as X point. We find that the pressures corresponding to the topological phase transitions are far below the pressure corresponding to structural phase transition at 25.5 GPa. The reentrant behaviour of topological quantum phase with hydrostatic pressure would help in finding a correlation between topology and XMR effect through experiments.Comment: 12 pages, 4 figure

New Symmetries in Crystals and Handed Structures

For over a century, the structure of materials has been described by a combination of rotations, rotation-inversions and translational symmetries. By recognizing the reversal of static structural rotations between clockwise and counterclockwise directions as a distinct symmetry operation, here we show that there are many more structural symmetries than are currently recognized in right- or left-handed handed helices, spirals, and in antidistorted structures composed equally of rotations of both handedness. For example, though a helix or spiral cannot possess conventional mirror or inversion symmetries, they can possess them in combination with the rotation reversal symmetry. Similarly, we show that many antidistorted perovskites possess twice the number of symmetry elements as conventionally identified. These new symmetries predict new forms for "roto" properties that relate to static rotations, such as rotoelectricity, piezorotation, and rotomagnetism. They also enable symmetry-based search for new phenomena, such as multiferroicity involving a coupling of spins, electric polarization and static rotations. This work is relevant to structure-property relationships in all material structures with static rotations such as minerals, polymers, proteins, and engineered structures.Comment: 15 Pages, 4 figures, 3 Tables; Fig. 2b has error