Classification of topological crystalline insulators based on representation theory

TL;DR

This paper develops a comprehensive classification framework for topological crystalline insulators using space group representation theory, identifying new topological phases and providing guidance for material discovery.

Contribution

It introduces a general theory based on space group representations to classify topological crystalline insulators, revealing new topological phases and relationships among different symmetry groups.

Findings

Reproduces known topological crystalline insulators like mirror Chern insulators.

Identifies new topological phases with specific symmetry groups and spin cases.

Shows relationships between phases in different symmetry groups.

Abstract

Topological crystalline insulators define a new class of topological insulator phases with gapless surface states protected by crystalline symmetries. In this work, we present a general theory to classify topological crystalline insulator phases based on the representation theory of space groups. Our approach is to directly identify possible nontrivial surface states in a semi-infinite system with a specific surface, of which the symmetry property can be described by 17 two-dimensional space groups. We reproduce the existing results of topological crystalline insulators, such as mirror Chern insulators in the $pm$ or $pmm$ groups, $C_{nv}$ topological insulators in the $p4m$, $p31m$ and $p6m$ groups, and topological nonsymmorphic crystalline insulators in the $pg$ and $pmg$ groups. Aside from these existing results, we also obtain the following new results: (1) there are two integer mirror Chern numbers ($\mathbb{Z}^2$) in the $pm$ group but only one ($\mathbb{Z}$) in the $cm$ or $p3m1$ group for both the spinless and spinful cases; (2) for the $pmm$ ($cmm$) groups, there is no topological classification in the spinless case but $\mathbb{Z}^4$ ($\mathbb{Z}^2$) classifications in the spinful case; (3) we show how topological crystalline insulator phase in the $pg$ group is related to that in the $pm$ group; (4) we identify topological classification of the $p4m$, $p31m$, and $p6m$ for the spinful case; (5) we find topological non-symmorphic crystalline insulators also existing in $pgg$ and $p4g$ groups, which exhibit new features compared to those in $pg$ and $pmg$ groups. We emphasize the importance of the irreducible representations for the states at some specific high-symmetry momenta in the classification of topological crystalline phases. Our theory can serve as a guide for the search of topological crystalline insulator phases in realistic materials.