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

CheolHwan Park
Seoul National University  When

2024/02/22
12:00  Place
 CFM Auditorium
 Host
 Ivo Souza
 Add to calendar
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Relaxons, the eigenstates of a scattering matrix with welldefined 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 Wannierinterpolation method for calculating electronic polarisation, optical properties, and orbital magnetisation will be discussed in the second part. A translationallyinvariant formalism for the diagonal position matrix elements has been used since the beginning of the maximallylocalized Wannier functions [3]. We considered the translationally invariant formalism for the diagonal and nondiagonal matrix elements and higherorder corrections to the finitedifference 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[4] J.M. Lihm*, M. Ghim*, S.J. Hong*, and C.H. Park, unpublished.