Electron transport from electron relaxons and improved Wannier interpolation of position and other matrix elements

CFM Seminars

Speaker

Cheol-Hwan Park
Seoul National University

When

2024/02/22
12:00

Place

CFM Auditorium

Host

Ivo Souza

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Relaxons, the eigenstates of a scattering matrix with well-defined lifetimes, were proposed and used to understand phonon transport phenomena [1]. The electron version of relaxons and their use in electronic transport [2] will be discussed. The improved Wannier-interpolation method for calculating electronic polarisation, optical properties, and orbital magnetisation will be discussed in the second part. A translationally-invariant formalism for the diagonal position matrix elements has been used since the beginning of the maximally-localized Wannier functions [3]. We considered the translationally invariant formalism for the diagonal and non-diagonal matrix elements and higher-order corrections to the finite-difference formulation [4].

[1] A. Cepellotti and N. Marzari, Phys. Rev. X 6, 041013 (2016).
[2] J.-M. Lihm and C.-H. Park, Phys. Rev. Lett. in press.
[3] N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997).
[4] J.-M. Lihm*, M. Ghim*, S.-J. Hong*, and C.-H. Park, unpublished.