A Discrete Formulation of Second Stiefel-Whitney Class for Band Theory (2412.18796v1)

Abstract: 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 points in the BZ, rendering standard continuum-based approaches inapplicable. In this work, we focus on the second Stiefel-Whitney class $w_2$, a key $\mathbb{Z}_2$ topological invariant under PT symmetry that characterizes various higher-order topological insulators and nodal-line semimetals. We develop a fully discrete, gauge-fixing-free formula for $w_2$ which depends solely on the Bloch states sampled at discrete BZ points. Furthermore, we clarify how our discrete construction connects to lattice field theory, providing a unifying perspective that benefits both high-energy and condensed matter approaches.