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A practical method to detect, analyse and engineer higher order Van Hove singularities in multi-band Hamiltonians

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arxiv 2207.06099 v3 pith:OSJ3W635 submitted 2022-07-13 cond-mat.str-el cond-mat.mtrl-scicond-mat.supr-con

A practical method to detect, analyse and engineer higher order Van Hove singularities in multi-band Hamiltonians

classification cond-mat.str-el cond-mat.mtrl-scicond-mat.supr-con
keywords methodhigherhoveordersingularitiesallowsanalysebands
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We present a practical method to detect, diagnose and engineer higher order Van Hove singularities in multiband systems, with no restrictions on the number of bands and hopping terms. The method allows us to directly compute the Taylor expansion of the dispersion of any band at arbitrary points in momentum space, using a generalised extension of the Feynman Hellmann theorem, which we state and prove. Being fairly general in scope, it also allows us to incorporate and analyse the effect of tuning parameters on the low energy dispersions, which can greatly aid the engineering of higher order Van Hove singularities. A certain class of degenerate bands can be handled within this framework. We demonstrate the use of the method, by applying it to the Haldane model.

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