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Substrate screening approach for quasiparticle energies of two-dimensional interfaces with lattice mismatch

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The authors develop an efficient and accurate interpolation technique for the matrix elements of dielectric matrices in the entire $\mathbf{q}$ + $\mathbf{G}$ reciprocal space between material and substrate.The method makes… Click to show full abstract

The authors develop an efficient and accurate interpolation technique for the matrix elements of dielectric matrices in the entire $\mathbf{q}$ + $\mathbf{G}$ reciprocal space between material and substrate.The method makes possible quasiparticle energy calculations within the $G\phantom{\rule{0}{0ex}}W$ approximation for arbitrarily mismatched interfaces, free of strain and symmetry constraints. This is extremely important for practical applications.

Keywords: quasiparticle; quasiparticle energies; screening approach; substrate screening; approach quasiparticle; substrate

Journal Title: Physical Review B
Year Published: 2020

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