*Nat Commun ; 12(1): 1855, 2021 Mar 25.*

##### RESUMO

Time reversal symmetric (TRS) invariant topological insulators (TIs) fullfil a paradigmatic role in the field of topological materials, standing at the origin of its development. Apart from TRS protected strong TIs, it was realized early on that more confounding weak topological insulators (WTI) exist. WTIs depend on translational symmetry and exhibit topological surface states only in certain directions making it significantly more difficult to match the experimental success of strong TIs. We here report on the discovery of a WTI state in RhBi2 that belongs to the optimal space group P[Formula: see text], which is the only space group where symmetry indicated eigenvalues enumerate all possible invariants due to absence of additional constraining crystalline symmetries. Our ARPES, DFT calculations, and effective model reveal topological surface states with saddle points that are located in the vicinity of a Dirac point resulting in a van Hove singularity (VHS) along the (100) direction close to the Fermi energy (EF). Due to the combination of exotic features, this material offers great potential as a material platform for novel quantum effects.

*J Chem Theory Comput ; 16(10): 6256-6266, 2020 Oct 13.*

##### RESUMO

We develop a resource-efficient step-merged quantum imaginary time evolution approach (smQITE) to solve for the ground state of a Hamiltonian on quantum computers. This heuristic method features a fixed shallow quantum circuit depth along the state evolution path. We use this algorithm to determine the binding energy curves of a set of molecules, including H2, H4, H6, LiH, HF, H2O, and BeH2, and find highly accurate results. The required quantum resources of smQITE calculations can be further reduced by adopting the circuit form of the variational quantum eigensolver (VQE) technique, such as the unitary coupled cluster ansatz. We demonstrate that smQITE achieves a similar computational accuracy as VQE at the same fixed-circuit ansatz, without requiring a generally complicated high-dimensional nonconvex optimization. Finally, smQITE calculations are carried out on Rigetti quantum processing units, demonstrating that the approach is readily applicable on current noisy intermediate-scale quantum devices.

*Proc Natl Acad Sci U S A ; 116(51): 25524-25529, 2019 Dec 17.*

##### RESUMO

Strain describes the deformation of a material as a result of applied stress. It has been widely employed to probe transport properties of materials, ranging from semiconductors to correlated materials. In order to understand, and eventually control, transport behavior under strain, it is important to quantify the effects of strain on the electronic bandstructure, carrier density, and mobility. Here, we demonstrate that much information can be obtained by exploring magnetoelastoresistance (MER), which refers to magnetic field-driven changes of the elastoresistance. We use this powerful approach to study the combined effect of strain and magnetic fields on the semimetallic transition metal dichalcogenide [Formula: see text] We discover that WTe2 shows a large and temperature-nonmonotonic elastoresistance, driven by uniaxial stress, that can be tuned by magnetic field. Using first-principle and analytical low-energy model calculations, we provide a semiquantitative understanding of our experimental observations. We show that in [Formula: see text], the strain-induced change of the carrier density dominates the observed elastoresistance. In addition, the change of the mobilities can be directly accessed by using MER. Our analysis also reveals the importance of a heavy-hole band near the Fermi level on the elastoresistance at intermediate temperatures. Systematic understanding of strain effects in single crystals of correlated materials is important for future applications, such as strain tuning of bulk phases and fabrication of devices controlled by strain.

*Phys Rev Lett ; 123(7): 075302, 2019 Aug 16.*

##### RESUMO

We study a one-dimensional interacting quantum liquid hosting a pair of mobile impurities causing backscattering. We determine the effective retarded interaction between the two impurities mediated by the liquid. We show that for strong backscattering this interaction gives rise to resonances and antiresonances in the finite-frequency mobility of the impurity pair. At the antiresonances, the two impurities remain at rest even when driven by a (small) external force. At the resonances, their synchronous motion follows the external drive in phase and reaches maximum amplitude. Using a perturbative renormalization group analysis in quantum tunneling across the impurities, we study the range of validity of our model. We predict that these mechanical antiresonances are observable in experiments on ultracold atom gases confined to one dimension.

*Nano Lett ; 19(2): 1033-1038, 2019 02 13.*

##### RESUMO

In classical morphotropic piezoelectric materials, rhombohedral and tetragonal phase variants can energetically compete to form a mixed phase regime with improved functional properties. While the discovery of morphotropic-like phases in multiferroic BiFeO3 films has broadened this definition, accessing these phase spaces is still typically accomplished through isovalent substitution or heteroepitaxial strain which do not allow for continuous modification of phase composition postsynthesis. Here, we show that it is possible to use low-energy helium implantation to tailor morphotropic phases of epitaxial BiFeO3 films postsynthesis in a continuous and iterative manner. Applying this strain doping approach to morphotropic films creates a new phase space based on internal and external lattice stress that can be seen as an analogue to temperature-composition phase diagrams of classical morphotropic ferroelectric systems.

*Phys Rev Lett ; 121(5): 057001, 2018 Aug 03.*

##### RESUMO

Recent experiments in iron pnictide superconductors reveal that, as the putative magnetic quantum critical point is approached, different types of magnetic order coexist over a narrow region of the phase diagram. Although these magnetic configurations share the same wave vectors, they break distinct symmetries of the lattice. Importantly, the highest superconducting transition temperature takes place close to this proliferation of near-degenerate magnetic states. In this Letter, we employ a renormalization group calculation to show that such a behavior naturally arises due to the effects of spin-orbit coupling on the quantum magnetic fluctuations. Formally, the enhanced magnetic degeneracy near the quantum critical point is manifested as a stable Gaussian fixed point with a large basin of attraction. Implications of our findings to the superconductivity of the iron pnictides are also discussed.

*Phys Rev Lett ; 118(10): 106801, 2017 Mar 10.*

##### RESUMO

Stimulated by experimental advances in electrolyte gating methods, we investigate theoretically percolation in thin films of inhomogeneous complex oxides, such as La_{1-x}Sr_{x}CoO_{3} (LSCO), induced by a combination of bulk chemical and surface electrostatic doping. Using numerical and analytical methods, we identify two mechanisms that describe how bulk dopants reduce the amount of electrostatic surface charge required to reach percolation: (i) bulk-assisted surface percolation and (ii) surface-assisted bulk percolation. We show that the critical surface charge strongly depends on the film thickness when the film is close to the chemical percolation threshold. In particular, thin films can be driven across the percolation transition by modest surface charge densities. If percolation is associated with the onset of ferromagnetism, as in LSCO, we further demonstrate that the presence of critical magnetic clusters extending from the film surface into the bulk results in considerable enhancement of the saturation magnetization, with pronounced experimental consequences. These results should significantly guide experimental work seeking to verify gate-induced percolation transitions in such materials.

*Phys Rev Lett ; 115(17): 177201, 2015 Oct 23.*

##### RESUMO

In an extensive computational experiment, we test Polyakov's conjecture that under certain circumstances an isotropic Heisenberg model can develop algebraic spin correlations. We demonstrate the emergence of a multispin U(1) order parameter in a Heisenberg antiferromagnet on interpenetrating honeycomb and triangular lattices. The correlations of this relative phase angle are observed to decay algebraically at intermediate temperatures in an extended critical phase. Using finite-size scaling we show that both phase transitions are of the Berezinskii-Kosterlitz-Thouless type, and at lower temperatures we find long-range Z(6) order.

*Sci Rep ; 5: 8386, 2015 Feb 11.*

##### RESUMO

Interacting cold-atomic gases in optical lattices offer an experimental approach to outstanding problems of many body physics. One important example is the interplay of interaction and topology which promises to generate a variety of exotic phases such as the fractionalized Chern insulator or the topological Mott insulator. Both theoretically understanding these states of matter and finding suitable systems that host them have proven to be challenging problems. Here we propose a cold-atom setup where Hubbard on-site interactions give rise to spin liquid-like phases: weak and strong topological Mott insulators. They represent the celebrated paradigm of an interacting and topological quantum state with fractionalized spinon excitations that inherit the topology of the non-interacting system. Our proposal shall help to pave the way for a controlled experimental investigation of this exotic state of matter in optical lattices. Furthermore, it allows for the investigation of a dimensional crossover from a two-dimensional quantum spin Hall insulating phase to a three-dimensional strong topological insulator by tuning the hopping between the layers.

*Phys Rev Lett ; 113(22): 220401, 2014 Nov 28.*

##### RESUMO

We consider an open system near a quantum critical point that is suddenly moved towards the critical point. The bath-dominated diffusive nonequilibrium dynamics after the quench is shown to follow scaling behavior, governed by a critical exponent that emerges in addition to the known equilibrium critical exponents. We determine this exponent and show that it describes universal prethermalized coarsening dynamics of the order parameter in an intermediate time regime. Implications of this quantum critical prethermalization are: (i) a power law rise of order and correlations after an initial collapse of the equilibrium state and (ii) a crossover to thermalization that occurs arbitrarily late for sufficiently shallow quenches.

*Phys Rev Lett ; 112(7): 077003, 2014 Feb 21.*

##### RESUMO

We investigate the photon statistics, entanglement, and squeezing of a p-n junction sandwiched between two superconducting leads and show that such an electrically driven photon pump generates correlated and entangled pairs of photons. In particular, we demonstrate that the squeezing of the fluctuations in the quadrature amplitudes of the emitted light can be manipulated by changing the relative phase of the order parameters of the superconductors. This reveals how macroscopic coherence of the superconducting state can be used to tailor the properties of a two-photon state.

*Phys Rev Lett ; 109(20): 205303, 2012 Nov 16.*

##### RESUMO

We consider the time-reversal-invariant Hofstadter-Hubbard model which can be realized in cold-atom experiments. In these experiments, an additional staggered potential and an artificial Rashba-type spin-orbit coupling are available. Without interactions, the system exhibits various phases such as topological and normal insulator, metal as well as semi-metal phases with two or even more Dirac cones. Using a combination of real-space dynamical mean-field theory and analytical techniques, we discuss the effect of on-site interactions and determine the corresponding phase diagram. In particular, we investigate the semi-metal to antiferromagnetic insulator transition and the stability of different topological insulator phases in the presence of strong interactions. We compute spectral functions which allow us to study the edge states of the strongly correlated topological phases.

*Phys Rev Lett ; 109(23): 237205, 2012 Dec 07.*

##### RESUMO

We introduce a two-dimensional frustrated Heisenberg antiferromagnet on interpenetrating honeycomb and triangular lattices. Classically the two sublattices decouple, and "order from disorder" drives them into a coplanar state. Applying Friedan's geometric approach to nonlinear sigma models, we obtain the scaling of the spin stiffnesses governed by the Ricci flow of a four-dimensional metric tensor. At low temperatures, the relative phase between the spins on the two sublattices is described by a six-state clock model with an emergent critical phase.