Topological insulators from the perspective of first-principles calculations

DOI10.1142/9789813278677_0008MaRDI QIDQ5195022zbMATHOpenAlexFDO

Authors Shou-Cheng Zhang, Haijun Zhang

Publication date 17 September 2019

Published in Topology and Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1209.6446

zbMATH Keywords

topological insulatorssurface statesspin-orbit couplingfirst-principles calculations

Mathematics Subject Classification ID

Many-body theory; quantum Hall effect (81V70) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Statistical mechanics of solids (82D20)

Abstract: Topological insulators are new quantum states with helical gapless edge or surface states inside the bulk band gap.These topological surface states are robust against the weak time-reversal invariant perturbations, such as lattice distortions and non-magnetic impurities. Recently a variety of topological insulators have been predicted by theories, and observed by experiments. First-principles calculations have been widely used to predict topological insulators with great success. In this review, we summarize the current progress in this field from the perspective of first-principles calculations. First of all, the basic concepts of topological insulators and the frequently-used techniques within first-principles calculations are briefly introduced. Secondly, we summarize general methodologies to search for new topological insulators. In the last part, based on the band inversion picture first introduced in the context of HgTe, we classify topological insulators into three types with s-p, p-p and d-f, and discuss some representative examples for each type.

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(6)

• \texttt{WannierTools}: an open-source software package for novel topological materials
• Characterization of Topological Insulators: Chern Numbers for Ground State Multiplet
• Study on Green’s function on topological insulator surface
• Theoretical construction of weak topological crystalline insulators
• First-principles calculation of \(Z_2\) topological invariants within the FP-LAPW
• Some remarks on topological phases and topological insulators

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