JuLib | Articles & more - {*}

Ask a Librarian

1

Journal Article

Tailoring magnetic anisotropy by graphene-induced selective skyhook effect on 4f-metals

Herman, Alexander
2022

Nanoscale, 14 (2022) 20, S. 7682 - 7691

OpenAccess

2

Journal Article

Uniaxially Aligned 1D Sandwich-Molecular Wires: Electronic Structure and Magnetism

Kraus, Stefan
2022

The journal of physical chemistry / C, 126 (2022) 6, S. 3140–3150

Published on 2022-02-07. Available in OpenAccess from 2023-02-07. Restricted

3

Journal Article

Single-crystal graphene on Ir(110)

Kraus, Stefan
2022

Physical review / B, 105 (2022) 16, S. 165405

OpenAccess

4

Journal Article

Selecting the Reaction Path in On-Surface Synthesis through the Electron Chemical Potential in Graphene

Kraus, Stefan
2022

Journal of the American Chemical Society, 144 (2022) 24, S. 11003 - 11009

Published on 2022-06-13. Available in OpenAccess from 2023-06-13. Restricted

5

Journal Article

Calculation of the Green's function in the scattering region for first-principles electron-transport simulations

Egami, Yoshiyuki
2021

Physical review research, 3 (2021) 1, S. 013038

OpenAccess

6

Journal Article

Spin-polarized electron transmission through B-doped graphene nanoribbons with Fe functionalization: a first-principles study

Tsukamoto, Shigeru
2020

New journal of physics, 22 (2020) 6, S. 063022

Get full text Get full text OpenAccess OpenAccess

7

Journal Article

Local dimerization and dedimerization of C60 molecules under a tip of scanning tunneling microscope: A first-principles study

Tsukamoto, Shigeru
2020

Carbon, 159 (2020) S. 638 - 647

OpenAccess

8

Journal Article

Efficient calculation of self-energy matrices for electron-transport simulations

Egami, Yoshiyuki
2019

Physical Review B Physical review / B, 100 100 (2019 2019) 7 7, S. 075413 075413

OpenAccess OpenAccess

9

Conference Presentation

Analytical PAW Projector Functions for Reduced Bandwidth Requirements

Baumeister, Paul F.
2019

OpenAccess

10

Contribution to a book
Contribution to a conference proceedings

Analytical PAW Projector Functions for Reduced Bandwidth Requirements

Baumeister, Paul F.
2019

OpenAccess OpenAccess

11

Journal Article

Improvement of accuracy in the wave-function-matching method for transport calculations

Tsukamoto, Shigeru
2018

Physical Review B Physical review / B, 97 97 (2018 2018) 11 11, S. 115450 115450

OpenAccess OpenAccess

12

Journal Article

Contour integral method for obtaining the self-energy matrices of electrodes in electron transport calculations

Iwase, Shigeru
2018

Physical Review B Physical review / B, 97 97 (2018 2018) 19 19, S. 195449 195449

OpenAccess OpenAccess

13

Journal Article

Complex band structure calculations based on the overbridging boundary matching method without using Green's functions

Tsukamoto, Shigeru
2018

Physical Review B Physical review / B, 98 98 (2018 2018) 19 19, S. 195422 195422

OpenAccess OpenAccess

14

Journal Article

Boron-Doped Graphene Nanoribbons: Electronic Structure and Raman Fingerprint

Senkovskiy, Boris V.
2018

ACS nano, 12 (2018) 8, S. 7571 - 7582

Restricted Restricted Published on 2018-07-13. Available in OpenAccess from 2019-07-13. Published on 2018-07-13. Available in OpenAccess from 2019-07-13.

15

Journal Article

Self-energy matrices for electron transport calculations within the real-space finite-difference formalism

Tsukamoto, Shigeru
2017

Physical Review E Physical review / E, 95 95 (2017 2017) 3 3, S. 033309 033309

OpenAccess OpenAccess

16

Journal Article

Imaging Individual Molecular-Like Orbitals of a Non-Planar Naphthalene Diimide on Pt(111): A Combined STM and DFT Study

Ebeling, R.
2017

The @journal of physical chemistry / C, 121 (2017) 48, S. 26916–26924

Published on 2017-11-14. Available in OpenAccess from 2018-11-14. Published on 2017-11-14. Available in OpenAccess from 2018-11-14.

17

Journal Article

Real-space method for first-principles electron transport calculations: Self-energy terms of electrodes for large systems

Ono, Tomoya
2016

Physical Review B Physical review / B, 93 93 (2016 2016) 4 4, S. 045421 045421

OpenAccess OpenAccess

18

Journal Article

First-principles calculation method for electron transport based on the grid Lippmann-Schwinger equation

Egami, Yoshiyuki
2015

Physical Review E Physical review / E, 92 92 (2015 2015) 3 3, S. 033301 033301

OpenAccess OpenAccess

19

Journal Article

Real-space finite-difference calculation method of generalized Bloch wave functions and complex band structures with reduced computational cost

Tsukamoto, Shigeru
2014

Physical Review E Physical review / E, 90 90 (2014 2014) 1 1, S. 013306 013306

OpenAccess

20

Journal Article

Tuning electron transport through molecular junctions by chemical modification of the molecular core: First-principles study

Tsukamoto, Shigeru
2013

Physical Review B Physical review / B, 88 88 (2013 2013) 12 12, S. 125436 125436

OpenAccess

Select all titles on this page