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arxiv 2412.03637 v2 pith:3PAXJMO2 submitted 2024-12-04 cond-mat.str-el cond-mat.mes-hallcond-mat.mtrl-sciquant-ph

Gauge-invariant projector calculus for quantum state geometry and applications to observables in crystals

classification cond-mat.str-el cond-mat.mes-hallcond-mat.mtrl-sciquant-ph
keywords geometricalgeometryinvariantsquantumapplicationscrystalformalismgauge-invariant
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The importance of simple geometrical invariants, such as the Berry curvature and quantum metric, constructed from the Bloch states of a crystal has become well-established over four decades of research. More complex aspects of geometry emerge in properties linking multiple bands, such as optical responses. In the companion work [arXiv:2409.16358], we identified novel multi-state geometrical invariants using an explicitly gauge-invariant formalism based on projection operators, which we used to clarify the relation between the shift current and the theory of electronic polarization among other advancements for second-order non-linear optics. Here, we provide considerably more detail on the projector formalism and the geometrical invariants arising in the vicinity of a specific value of crystal momentum. We combine the introduction to multi-state quantum geometry with broadly relevant algebraic relationships and detailed example calculations, enabling extensions toward future applications to topological and geometrical properties of insulators and metals.

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