67 citations · 173 across the 13 of their papers we have counts for
13 papers
Single-crystal graphene on Ir(110)
Stefan Kraus, Felix Huttmann, Jeison Fischer +12
A single-crystal sheet of graphene is synthesized on the low-symmetry substrate Ir(110) by thermal decomposition of CH at 1500 K. Using scanning tunneling microscopy, low-e…
Efficient calculation of the Green's function in scattering region for electron-transport simulations
Yoshiyuki Egami, Shigeru Tsukamoto, Tomoya Ono
We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifte…
Analytical PAW Projector Functions for Reduced Bandwidth Requirements
Paul F. Baumeister, Shigeru Tsukamoto
Large scale electronic structure calculations require modern high performance computing (HPC) resources and, as important, mature HPC applications that can make efficient use of th…
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…
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…
First-principles calculation method and its applications for two-dimensional materials
Yoshiyuki Egami, Shigeru Tsukamoto, Tomoya Ono
We present details of our effective computational methods based on the real-space finite-difference formalism to elucidate electronic and magnetic properties of the two-dimensional…
Real-space method for first-principles electron-transport calculations: self-energy terms of electrodes for large systems
Tomoya Ono, Shigeru Tsukamoto
We present a fast and stable numerical technique to obtain the self-energy terms of electrodes for first-principles electron-transport calculations. Although first-principles calcu…
First-principles calculation method for electron transport based on grid Lippmann-Schwinger equation
Yoshiyuki Egami, Shigeru Iwase, Shigeru Tsukamoto +2
We develop a first-principles electron-transport simulator based on the Lippmann--Schwinger (LS) equation within the framework of the real-space finite-difference scheme. In our fu…
First-principles study on atomic configuration of electron-beam irradiated C clusters
Tomoya Ono, Shigeru Tsukamoto
A theoretical study proposes the atomic configuration of electron-beam irradiated C thin films. We examined the electronic structure and electron-transport properties of the…
Real-space electronic-structure calculations with full-potential all-electron precision for transition-metals
Tomoya Ono, Marcus Heide, Nicolae Atodiresei +3
We have developed an efficient computational scheme utilizing the real-space finite-difference formalism and the projector augmented-wave (PAW) method to perform precise first-prin…
Magnetic orderings in Al nanowires suspended between electrodes
Tomoya Ono, Shigeru Tsukamoto, Kikuji Hirose
A theoretical analysis of a relation between atomic and spin-electronic structures for the ground state of single-row aluminum nanowires suspended between Al(001) electrodes is dem…
Sudden Suppression of Electron-Transmission Peaks in Finite-Biased Nanowires
Shigeru Tsukamoto, Masakazu Aono, Kikuji Hirose
Negative differential conductance (NDC) is expected to be an essential property to realize fast switching in future electronic devices. We here present a thorough analysis on elect…
Electron-Transport Properties of Na Nanowires under Applied Bias Voltages
Shigeru Tsukamoto, Kikuji Hirose
We present first-principles calculations on electron transport through Na nanowires at finite bias voltages. The nanowire exhibits a nonlinear current-voltage characteristic and ne…