216 citations · 908 across the 47 of their papers we have counts for
3 papers · 1 filter
Improvement of accuracy of wave-function-matching method for transport calculation
Shigeru Tsukamoto, Tomoya Ono, Stefan Blügel
The wave-function-matching (WFM) technique for first-principles transport-property calculations was modified by Sørensen {\it et al.} so as to exclude rapidly decreasing evanescent…
Efficient and Scalable Calculation of Complex Band Structure using Sakurai-Sugiura Method
Shigeru Iwase, Yasunori Futamura, Akira Imakura +2
Complex band structures (CBSs) are useful to characterize the static and dynamical electronic properties of materials. Despite the intensive developments, the first-principles calc…
Contour integral method for obtaining the self-energy matrices of electrodes in electron transport calculations
Shigeru Iwase, Yasunori Futamura, Akira Imakura +3
We propose an efficient computational method for evaluating the self-energy matrices of electrodes to study ballistic electron transport properties in nanoscale systems. To reduce…