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cond-mat.mtrl-sci2022★ 25 cited
First-principles calculation of anomalous Hall and Nernst conductivity by local Berry phase
Hikaru Sawahata, Naoya Yamaguchi, Susumu Minami +1
In this study, we implemented a finite-difference algorithm for computing anomalous Hall and Nernst conductivity. Based on the expression to evaluate the Berry curvature in an insu…
cond-mat.mtrl-sci2022★ 3 cited
First-principles LCPAO Approach for Insulators under Finite Electric Field
Naoya Yamaguchi, Fumiyuki Ishii
We propose a linear-combination-of-pseudo-atomic-orbitals scheme for a finite electric field method based on the modern theory of polarization. We derive the matrix elements of the…