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High-fidelity k$\cdot$p representations of first-principles electronic band structures through covariant renormalization

Berland, Kristian
arXiv (All) · Papers
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computational-physicsmaterials-sciencemesoscale-and-nanoscale-physics
The k$\cdot$p method can be applied directly to first-principles energies and momentum matrix elements, but the resulting models converge slowly with the number of bands and are inexact wherever the underlying Hamiltonian is nonlocal. We show that both limitations can be largely removed by renormali
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