No Arabic abstract
We report the structural, vibrational and electrical transport properties up to 16 GPa of the 1T-TiTe2, a prominent layered 2D system, which is predicted to show a series of topologically trivial - nontrivial transitions under hydrostatic compression. We clearly show signatures of two iso-structural transition at 2 GPa and 4 GPa obtained from the minima in c/a ratio concomitant with the phonon linewidth anomalies of Eg and A1g modes at around the same pressures, providing strong indication of unusual electron-phonon coupling associated to these transitions. Resistivity presents nonlinear behavior over similar pressure ranges providing a strong indication of the electronic origin of these pressure driven isostructural transitions. Our data thus provide clear evidences of topological changes at A and L point of the Brillouin zone predicted to be present in the compressed 1T-TiTe2. Between 4 GPa and 8 GPa, the c/a ratio shows a plateau suggesting a transformation from an anisotropic 2D layer to a quasi 3D crystal network. First principles calculations suggest that the 2D to quasi 3D evolution without any structural phase transitions is mainly due to the increased interlayer Te-Te interactions (bridging) via the charge density overlap. In addition to the pressure dependent isostructural phase transitions, our data also evidences the occurrence of a first order structural phase transition from the trigonal (P-3m1) phase at higher pressures. We estimate the start of this structural phase transition to be 8 GPa and the symmetric of the new high-pressure phase to be monoclinic (C2/m).
Combining tight-binding (TB) models with first-principles calculations, we investigate electronic and topological properties of plumbene. Different from the other two-dimensional (2D) topologically nontrivial insulators in group IVA (from graphene to stanene), low-buckled plumbene is a topologically trivial insulator. The plumbene without spin-orbit coupling exhibits simultaneously two kinds of degeneracies, i.e., quadratic non-Dirac and linear Dirac band dispersions around the Gamma and K/K points, respectively. Our TB model calculations show that it is the coupling between the two topological states around the Gamma and K/K points that triggers the global topologically trivial property of plumbene. Quantum anomalous Hall effects with Chern numbers of 2 or -2 can be, however, achieved after an exchange field is introduced. When the plumbene is functionalized with ethynyl (PbC2H), quantum spin Hall effects appear due to the breaking of the coupling effect of the local topological states.
Topological materials have drawn increasing attention owing to their rich quantum properties. A notable highlight is the observation of a large intrinsic anomalous Hall effect (AHE) in Weyl and nodal-line semimetals. However, how the electronic topology of the carriers contributes to the transport and whether it can be externally tuned remains elusive. In this study, we demonstrate a magnetic-field-induced switching of band topology in $alpha$-EuP$_3$, a magnetic semimetal with a layered crystal structure derived from black phosphorus. Such topology switching is shown to be accompanied by a crossover from paramagnetic to ferromagnetic, manifesting as a giant AHE in the magnetoresistance when the magnetic field is perpendicular to the crystalline mirror plane. Electronic structure calculations further indicate that, depending on the direction of the magnetic field, two distinct topological phases, Weyl semimetal and topological nodal-line semimetal, are stabilized via the exchange coupling between Eu-4$f$ moments and conducting carriers. Our findings provide a realistic solution for external control and manipulation of band topology, enriching the functional aspects of topological materials and furthering the possibility of practical applications for topological electronics.
Realization of semimetals with non-trivial topologies such as Dirac and Weyl semimetals, have provided a boost in the study of these quantum materials. Presence of electron correlation makes the system even more exotic due to enhanced scattering of charge carriers, Kondo screening etc. Here, we studied the electronic properties of single crystalline, SmBi employing varied state of the art bulk measurements. Magnetization data reveals two magnetic transitions; an antiferromagnetic order with a Neel temperature of ~ 9 K and a second magnetic transition at a lower temperature (= 7 K). The electrical resistivity data shows an upturn typical of a Kondo system and the estimated Kondo temperature is found to be close to the Neel temperature. High quality of the crystal enabled us to discover signature of quantum oscillation in the magnetization data even at low magnetic field. Using a Landau level fan diagram analysis, a non-trivial Berry phase is identified for a Fermi pocket revealing the topological character in this material. These results demonstrate an unique example of the Fermiology in the antiferromagnetic state and opens up a new paradigm to explore the Dirac fermion physics in correlated topological metal via interplay of Kondo interaction, topological order and magnetism.
We provide an efficient and general route for preparing non-trivial quantum states that are not adiabatically connected to unentangled product states. Our approach is a hybrid quantum-classical variational protocol that incorporates a feedback loop between a quantum simulator and a classical computer, and is experimentally realizable on near-term quantum devices of synthetic quantum systems. We find explicit protocols which prepare with perfect fidelities (i) the Greenberger-Horne-Zeilinger (GHZ) state, (ii) a quantum critical state, and (iii) a topologically ordered state, with $L$ variational parameters and physical runtimes $T$ that scale linearly with the system size $L$. We furthermore conjecture and support numerically that our protocol can prepare, with perfect fidelity and similar operational costs, the ground state of every point in the one dimensional transverse field Ising model phase diagram. Besides being practically useful, our results also illustrate the utility of such variational ansatze as good descriptions of non-trivial states of matter.
The $4d$ and $5d$ transition metal oxides have become important members of the emerging quantum materials family due to competition between onsite Coulomb repulsion ($U$) and spin-orbit coupling (SOC). Specifically, the systems with $d^5$ electronic configuration in an octahedral environment are found to be capable of posessing invariant semimetallic state and perturbations can lead to diverse magnetic phases. In this work, by formulating a multi-band Hubbard model and performing SOC tunable DFT+$U$ calculations on a prototype SrIrO$_3$ and extending the analysis to other iso-structural and isovalent compounds, we present eight possible electronic and magnetic configurations in the $U$-SOC phase diagram that can be observed in the family of low-spin $d^5$ perovskites. They include the protected Dirac semimetal state, metal and insulator regimes, collinear and noncollinear spin ordering. The latter is explained through connecting hopping interactions to the rotation and tilting of the octahedra as observed in GdFeO$_3$. Presence of several soft phase boundaries makes the family of $d^5$ perovskites an ideal platform to study electronic and magnetic phase transitions under external stimuli.