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arxiv: 1504.04937 · v3 · pith:JQZTM5CUnew · submitted 2015-04-20 · ❄️ cond-mat.mtrl-sci · cond-mat.dis-nn

Projection operator approach to unfolding supercell band structures

classification ❄️ cond-mat.mtrl-sci cond-mat.dis-nn
keywords projectionunfoldingapproachbandderivationsoperatorappearedchains
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While the methodology of band structure unfolding has appeared in several publications, the original derivations of the unfolding formulas can be considerably simplified by using the $k$-projection method. In this work, more transparent derivations of unfolded spectral weights are given by using the projection operator approach. A range of illustrative examples are also presented which include finite and random one-dimensional chains, and Kekul\'e-textured honeycomb lattice.

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