Topological crystalline insulators and Dirac octets in antiperovskites

2014/07/31 by Timothy H. Hsieh, Junwei Liu, Liang Fu · 165 citations
Materials Science · Mathematics · Physics and Astronomy · #Advanced Condensed Matter Physics #Alkali metal #Alkaline earth metal #Antiperovskite #Class (philosophy) #Combinatorics #Computer science #Condensed matter physics #Dirac (video compression format) #Electronic band structure #Layer (electronics) #Materials science #Mathematics #Nanotechnology #Octet #Physics #Quantum mechanics #Quark #Theoretical physics #Thermal Expansion and Ionic Conductivity #Topological Materials and Phenomena #Topological insulator #Topology (electrical circuits) #cond-mat.mtrl-sci #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.90.081112

published in Physical Review B 90(8) (American Physical Society) · Accepted as PRB Rapid Communication. 4 pages, 3 figures, 3 pages of Supplementary Material. Typos fixed

arxiv created 2014/08/07 · openalex publication_date 2014/08/20 · arxiv updated 2014/09/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

A combination of topological band theory, k\ensuremath⋅p modeling, and first-principles calculations leads to the prediction of a new class of topological crystalline insulators with antiperovskite structure, i.e. a perovskite with the positions of the rare-earth or alkaline-earth and oxygen atoms inverted. The authors predict that Ca₃PbO and Sr₃PbO are two representative examples from that class.

Citations

• Projector augmented-wave method
• From ultrasoft pseudopotentials to the projector augmented-wave method
• Generalized Gradient Approximation Made Simple
• Three-Dimensional Dirac Electrons at the Fermi Energy in Cubic Inverse Perovskites: Ca3PbO and Its Family
• Topological insulators and superconductors
• Topological Insulators with Inversion Symmetry
• The birth of topological insulators
• Topological Crystalline Insulators
• Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
• Topological Insulators

Cited by

• Composite Dirac semimetals
• Indium Substitution Effect on the Topological Crystalline Insulator Family (Pb1−xSnx)1−yInyTe: Topological and Superconducting Properties
• Normal-state properties of the antiperovskite oxide Sr3−xSnO revealed by Sn<mml:mprescripts/><mml:none/>119-NMR
• Giant orbital diamagnetism of three-dimensional Dirac electrons in Sr3PbO antiperovskite
• Topological crystalline metal in orthorhombic perovskite iridates
• Semimetal with both Rarita-Schwinger-Weyl and Weyl excitations
• Intertwining Josephson and Vortex Topologies in Conventional Superconductors