Topological Invariant Z2 Research Articles

Topological insulators based on 2D shape-persistent organic ligand complexes.

Topological insulators (TIs) represent an exciting new class of materials with potential applications in spintronics and quantum computing. In this work, we present a theoretical study on a new family of two dimensional (2D) nanomaterials based on the coordination of shape persistent organic ligands (SPOLs) to heavy transition metal ions such as Pd(2+) and Pt(2+). These 2D structures may be readily fabricated and are expected to be stable under normal atmospheric conditions. From first principles calculations and tight-binding model simulations carried out to characterize the bulk band structures, edge states, spin Chern numbers, and the Z2 topological invariants, we were able to identify candidates with non-trivial topological properties that may serve as topological insulators in real world applications.

MeasuringZ2topological invariants in optical lattices using interferometry

We propose an interferometric method to measure Z2 topological invariants of time-reversal invariant topological insulators realized with optical lattices in two and three dimensions. We suggest two schemes which both rely on a combination of Bloch oscillations with Ramsey interferometry and can be implemented using standard tools of atomic physics. In contrast to topological Zak phase and Chern number, defined for individual 1D and 2D Bloch bands, the formulation of the Z2 invariant involves at least two Bloch bands related by time- reversal symmetry which one has keep track of in measurements. In one of our schemes this can be achieved by the measurement of Wilson loops, which are non-Abelian generalizations of Zak phases. The winding of their eigenvalues is related to the Z2 invariant. We thereby demonstrate that Wilson loops are not just theoretical concepts but can be measured experimentally. For the second scheme we introduce a generalization of time-reversal polarization which is continuous throughout the Brillouin zone. We show that its winding over half the Brillouin zone yields the Z2 invariant. To measure this winding, our protocol only requires Bloch oscillations within a single band, supplemented by coherent transitions to a second band which can be realized by lattice-shaking.

Weak topological insulators in PbTe/SnTe superlattices

It is desirable to realize topological phases in artificial structures by engineering electronic band structures. In this paper, we investigate $(PbTe)_m(SnTe)_{2n-m}$ superlattices along [001] direction and find a robust weak topological insulator phase for a large variety of layer numbers m and 2n-m. We confirm this topologically non-trivial phase by calculating Z2 topological invariants and topological surface states based on the first-principles calculations. We show that the folding of Brillouin zone due to the superlattice structure plays an essential role in inducing topologically non-trivial phases in this system. This mechanism can be generalized to other systems in which band inversion occurs at multiple momenta, and gives us a brand-new way to engineer topological materials in artificial structures.

Plutonium Hexaboride is a Correlated Topological Insulator

We predict that plutonium hexaboride (PuB(6)) is a strongly correlated topological insulator, with Pu in an intermediate valence state of Pu(2.7+). Within the combination of dynamical mean field theory and density functional theory, we show that PuB(6) is an insulator in the bulk, with nontrivial Z(2) topological invariants. Its metallic surface states have a large Fermi pocket at the X[over ¯] point and the Dirac cones inside the bulk derived electronic states, causing a large surface thermal conductivity. PuB(6) has also a very high melting temperature; therefore, it has ideal solid state properties for a nuclear fuel material.

Topological Insulators in α-Graphyne

In this paper, we investigate topological phases of α-graphyne with tight-binding method. By calculating the topological invariant Z2 and the edge states, we identify topological insulators. We present the phase diagrams of α-graphyne with different filling fractions as a function of spin-orbit interaction and the nearest-neighbor hopping energy. We find there exist topological insulators in α-graphyne. We analyze and discuss the characteristics of topological phases of α-graphyne.

First-principles calculation of [formula omitted] topological invariants within the FP-LAPW formalism

In this paper, we report the implementation of first-principles calculations of Z2 topological invariants within the full-potential linearized augmented plane-wave (FP-LAPW) formalism. In systems with both time-reversal and spatial inversion symmetry (centrosymmetric), one can use the parity analysis of Bloch functions at time-reversal invariant momenta to determine the Z2 invariants. In systems without spatial inversion symmetry (noncentrosymmetric), however, a more complex and systematic method in terms of the Berry gauge potential and the Berry curvature is required to identify the band topology. We show in detail how both methods are implemented in FP-LAPW formalism and applied to several classes of materials including centrosymmetric compounds Bi2Se3 and Sb2Se3 and noncentrosymmetric compounds LuPtBi, AuTlS2 and CdSnAs2. Our work provides an accurate and effective implementation of first-principles calculations to speed up the search of new topological insulators.

A new expression for the Anderson-Grüneisen parameter δ for ionic crystals

In this paper, we report the implementation of first-principles calculations of Z2 topological invariants within the full-potential linearized augmented plane-wave (FP-LAPW) formalism. In systems with both time-reversal and spatial inversion symmetry (centrosymmetric), one can use the parity analysis of Bloch functions at time-reversal invariant momenta to determine the Z2 invariants. In systems without spatial inversion symmetry (noncentrosymmetric), however, a more complex and systematic method in terms of the Berry gauge potential and the Berry curvature is required to identify the band topology. We show in detail how both methods are implemented in FP-LAPW formalism and applied to several classes of materials including centrosymmetric compounds Bi2Se3 and Sb2Se3 and noncentrosymmetric compounds LuPtBi, AuTlS2 and CdSnAs2. Our work provides an accurate and effective implementation of first-principles calculations to speed up the search of new topological insulators.