Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials

Tuning and stabilising topological states, such as Weyl semimetals, Dirac semimetals, or topological insulators, is emerging as one of the major topics in materials science. Periodic driving of many-body systems offers a platform to design Floquet states of matter with tunable electronic properties on ultrafast time scales. Here we show by first principles calculations how femtosecond laser pulses with circularly polarised light can be used to switch between Weyl semimetal, Dirac semimetal, and topological insulator states in a prototypical 3D Dirac material, Na$_3$Bi. Our findings are general and apply to any 3D Dirac semimetal. We discuss the concept of time-dependent bands and steering of Floquet-Weyl points (Floquet-WPs), and demonstrate how light can enhance topological protection against lattice perturbations. Our work has potential practical implications for the ultrafast switching of materials properties, like optical band gaps or anomalous magnetoresistance. Moreover, we introduce Floquet time-dependent density functional theory (Floquet-TDDFT) as a general and robust first principles method for predictive Floquet engineering of topological states of matter.Comment: 21 pages, 4 figure

Renormalization algorithm with graph enhancement

We introduce a class of variational states to describe quantum many-body systems. This class generalizes matrix product states which underly the density-matrix renormalization group approach by combining them with weighted graph states. States within this class may (i) possess arbitrarily long-ranged two-point correlations, (ii) exhibit an arbitrary degree of block entanglement entropy up to a volume law, (iii) may be taken translationally invariant, while at the same time (iv) local properties and two-point correlations can be computed efficiently. This new variational class of states can be thought of as being prepared from matrix product states, followed by commuting unitaries on arbitrary constituents, hence truly generalizing both matrix product and weighted graph states. We use this class of states to formulate a renormalization algorithm with graph enhancement (RAGE) and present numerical examples demonstrating that improvements over density-matrix renormalization group simulations can be achieved in the simulation of ground states and quantum algorithms. Further generalizations, e.g., to higher spatial dimensions, are outlined.Comment: 4 pages, 1 figur

Entanglement entropy of two disjoint intervals in c=1 theories

We study the scaling of the Renyi entanglement entropy of two disjoint blocks of critical lattice models described by conformal field theories with central charge c=1. We provide the analytic conformal field theory result for the second order Renyi entropy for a free boson compactified on an orbifold describing the scaling limit of the Ashkin-Teller (AT) model on the self-dual line. We have checked this prediction in cluster Monte Carlo simulations of the classical two dimensional AT model. We have also performed extensive numerical simulations of the anisotropic Heisenberg quantum spin-chain with tree-tensor network techniques that allowed to obtain the reduced density matrices of disjoint blocks of the spin-chain and to check the correctness of the predictions for Renyi and entanglement entropies from conformal field theory. In order to match these predictions, we have extrapolated the numerical results by properly taking into account the corrections induced by the finite length of the blocks to the leading scaling behavior.Comment: 37 pages, 23 figure

Optical Phonon Lasing in Semiconductor Double Quantum Dots

We propose optical phonon lasing for a double quantum dot (DQD) fabricated in a semiconductor substrate. We show that the DQD is weakly coupled to only two LO phonon modes that act as a natural cavity. The lasing occurs for pumping the DQD via electronic tunneling at rates much higher than the phonon decay rate, whereas an antibunching of phonon emission is observed in the opposite regime of slow tunneling. Both effects disappear with an effective thermalization induced by the Franck-Condon effect in a DQD fabricated in a carbon nanotube with a strong electron-phonon coupling.Comment: 8 pages, 4 figure

Completeness of classical spin models and universal quantum computation

We study mappings between distinct classical spin systems that leave the partition function invariant. As recently shown in [Phys. Rev. Lett. 100, 110501 (2008)], the partition function of the 2D square lattice Ising model in the presence of an inhomogeneous magnetic field, can specialize to the partition function of any Ising system on an arbitrary graph. In this sense the 2D Ising model is said to be "complete". However, in order to obtain the above result, the coupling strengths on the 2D lattice must assume complex values, and thus do not allow for a physical interpretation. Here we show how a complete model with real -and, hence, "physical"- couplings can be obtained if the 3D Ising model is considered. We furthermore show how to map general q-state systems with possibly many-body interactions to the 2D Ising model with complex parameters, and give completeness results for these models with real parameters. We also demonstrate that the computational overhead in these constructions is in all relevant cases polynomial. These results are proved by invoking a recently found cross-connection between statistical mechanics and quantum information theory, where partition functions are expressed as quantum mechanical amplitudes. Within this framework, there exists a natural correspondence between many-body quantum states that allow universal quantum computation via local measurements only, and complete classical spin systems.Comment: 43 pages, 28 figure

Performance of local orbital basis sets in the self-consistent Sternheimer method for dielectric matrices of extended systems

We present a systematic study of the performance of numerical pseudo-atomic orbital basis sets in the calculation of dielectric matrices of extended systems using the self-consistent Sternheimer approach of [F. Giustino et al., Phys. Rev. B 81 (11), 115105 (2010)]. In order to cover a range of systems, from more insulating to more metallic character, we discuss results for the three semiconductors diamond, silicon, and germanium. Dielectric matrices calculated using our method fall within 1-3% of reference planewaves calculations, demonstrating that this method is promising. We find that polarization orbitals are critical for achieving good agreement with planewaves calculations, and that only a few additional \zeta 's are required for obtaining converged results, provided the split norm is properly optimized. Our present work establishes the validity of local orbital basis sets and the self-consistent Sternheimer approach for the calculation of dielectric matrices in extended systems, and prepares the ground for future studies of electronic excitations using these methods.Comment: 10 pages, 8 figure

Concatenated tensor network states

We introduce the concept of concatenated tensor networks to efficiently describe quantum states. We show that the corresponding concatenated tensor network states can efficiently describe time evolution and possess arbitrary block-wise entanglement and long-ranged correlations. We illustrate the approach for the enhancement of matrix product states, i.e. 1D tensor networks, where we replace each of the matrices of the original matrix product state with another 1D tensor network. This procedure yields a 2D tensor network, which includes -- already for tensor dimension two -- all states that can be prepared by circuits of polynomially many (possibly non-unitary) two-qubit quantum operations, as well as states resulting from time evolution with respect to Hamiltonians with short-ranged interactions. We investigate the possibility to efficiently extract information from these states, which serves as the basic step in a variational optimization procedure. To this aim we utilize known exact and approximate methods for 2D tensor networks and demonstrate some improvements thereof, which are also applicable e.g. in the context of 2D projected entangled pair states. We generalize the approach to higher dimensional- and tree tensor networks.Comment: 16 pages, 4 figure

Tensor network techniques for the computation of dynamical observables in 1D quantum spin systems

We analyze the recently developed folding algorithm [Phys. Rev. Lett. 102, 240603 (2009)] to simulate the dynamics of infinite quantum spin chains, and relate its performance to the kind of entanglement produced under the evolution of product states. We benchmark the accomplishments of this technique with respect to alternative strategies using Ising Hamiltonians with transverse and parallel fields, as well as XY models. Additionally, we evaluate its ability to find ground and thermal equilibrium states.Comment: 33 pages, 22 figure