Related papers: First-principles calculation of topological invari…
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…
We consider the problem of calculating the weak and strong topological indices in noncentrosymmetric time-reversal (T) invariant insulators. In 2D we use a gauge corresponding to hybrid Wannier functions that are maximally localized in one…
The class of topological insulator materials is one of the frontier topics of condensed matter physics. The great success of this field is due to the conceptual breakthroughs in theories for topological electronic states and is strongly…
The Chern topological numbers of a material platform are usually written in terms of the Berry curvature, which depends on the normal modes of the system. Here, we use a gauge invariant Green's function method to determine from first…
Topological invariants in band theory are often formulated assuming that Bloch wave functions are smoothly defined over the Brillouin zone (BZ). However, first-principles band calculations typically provide Bloch states only at discrete…
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crystals and surfaces. The implementation of atomic forces has…
From studies of exotic quantum many-body phenomena to applications in spintronics and quantum information processing, topological materials are poised to revolutionize the condensed matter frontier and the landscape of modern materials…
The topological invariants of gapped time reversal invariant lattice superconductors are studied by mapping the superconducting mean field Hamiltonian to a Bloch Hamiltonian. There is a single $Z_2 $ invariant in two dimensions and four…
We consider a gapped periodic quantum system with time-reversal symmetry of fermionic (or odd) type, i.e. the time-reversal operator squares to -1. We investigate the existence of periodic and time-reversal invariant Bloch frames in…
We devise a mixing algorithm for full-potential (FP) all-electron calculations in the linearized augmented planewave (LAPW) method. Pulay's direct inversion in the iterative subspace is complemented with the Kerker preconditioner and…
The intense theoretical and experimental interest in topological insulators and semimetals has established band structure topology as a fundamental material property. Consequently, identifying band topologies has become an important, but…
We have experimentally realized novel space-time inversion (P-T) invariant Z2-type topological semimetal-bands, via an analogy between the momentum space and a controllable parameter space in superconducting quantum circuits. By measuring…
In recent years there has been a great interest in topological photonics and protected edge states. Here, we present a first principles method to compute topological invariants of three-dimensional gapless phases. Our approach allows to…
We analyze in detail the error that arises from the linearization in linearized augmented-plane-wave (LAPW) basis functions around predetermined energies $E_l$ and show that it can lead to undesirable dependences of the calculated results…
The topological invariants of a time-reversal-invariant band structure in two dimensions are multiple copies of the $\mathbb{Z}_2$ invariant found by Kane and Mele. Such invariants protect the topological insulator and give rise to a spin…
Discoveries of topological states and topological materials reshape our understanding of physics and materials over the last 15 years. First-principles calculations have been playing a significant role in bridging the theory of topology and…
We introduce a new expression for the Z2 topological invariant of band insulators using non- Abelian Berry's connection. Our expression can identify the topological nature of a general band insulator without any of the gauge fixing problems…
It is known that three-dimensional magnetic systems with glide symmetry can be characterized by a $Z_2$ topological invariant together with the Chern number associated with the normal vector of the glide plane, and they are expressed in…
We establish a connection between two recently-proposed approaches to the understanding of the geometric origin of the Fu-Kane-Mele invariant $\mathrm{FKM} \in \mathbb{Z}_2$, arising in the context of 2-dimensional time-reversal symmetric…
A two-dimensional topological insulator may arise in a centrosymmetric commensurate N\'{e}el antiferromagnet (AF), where staggered magnetization breaks both the elementary translation and time reversal, but retains their product as a…