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1

Electronic structures of peanut-shaped fullerene tubes

Hiroyuki Nakayama, Tomoya Ono, Hidekazu Goto, Kikuji Hirose

Journal:

Science and Technology of Advanced Materials

Année:

2007

Langue:

english

Fichier:

PDF, 770 KB

english, 2007

2

Real-space electronic-structure calculations with a time-saving double-grid technique

Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review B

Année:

2005

Langue:

english

Fichier:

PDF, 661 KB

english, 2005

3

Real-Space Calculation Procedures for Electron Transport Properties of Nanostructures—Overbridging Boundary-Matching Method and Impulse-Response Method

Ono, Tomoya, Hirose, Kikuji, Goto, Hidekazu

Journal:

Journal of Computational and Theoretical Nanoscience

Année:

2009

Langue:

english

Fichier:

PDF, 6.81 MB

english, 2009

4

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

Egami, Yoshiyuki, Iwase, Shigeru, Tsukamoto, Shigeru, Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review E

Année:

2015

Langue:

english

Fichier:

PDF, 2.75 MB

english, 2015

5

First-Principles Calculations in Real-Space Formalism (Electronic Configurations and Transport Properties of Nanostructures) || BACK MATTER

Hirose, Kikuji, Ono, Tomoya, Fujimoto, Yoshitaka, Tsukamoto, Shigeru

Année:

2005

Langue:

english

Fichier:

PDF, 2.12 MB

english, 2005

6

Electrochemical etching using surface carboxylated graphite electrodes in ultrapure water

Yoshio Ichii, Yuzo Mori, Kikuji Hirose, Katsuyoshi Endo, Kazuto Yamauchi, Hidekazu Goto

Journal:

Electrochimica Acta

Année:

2005

Langue:

english

Fichier:

PDF, 225 KB

english, 2005

7

First-principles study of leakage current through thin films

Daisuke Nakagawa, Katsuhiro Kutsuki, Tomoya Ono, Kikuji Hirose

Journal:

Physica B: Condensed Matter

Année:

2006

Langue:

english

Fichier:

PDF, 278 KB

english, 2006

8

First-principles calculations of dielectric constants of bulk using Wannier functions

Jun Otsuka, Tomoya Ono, Kouji Inagaki, Kikuji Hirose

Journal:

Physica B: Condensed Matter

Année:

2006

Langue:

english

Fichier:

PDF, 221 KB

english, 2006

9

First-principles study of electronic structure of deformed carbon nanotubes

Kazuchika Iwami, Hidekazu Goto, Kikuji Hirose, Tomoya Ono

Journal:

Science and Technology of Advanced Materials

Année:

2007

Langue:

english

Fichier:

PDF, 721 KB

english, 2007

10

First-principles study on field evaporation of surface atoms from W(0 1 1) and Mo(0 1 1) surfaces

Tomoya Ono, Takashi Sasaki, Jun Otsuka, Kikuji Hirose

Journal:

Surface Science

Année:

2005

Langue:

english

Fichier:

PDF, 581 KB

english, 2005

11

Calculations of surface electronic structures by the overbridging boundary-matching method

Yoshitaka Fujimoto, Kikuji Hirose, Takahisa Ohno

Journal:

Surface Science

Année:

2005

Langue:

english

Fichier:

PDF, 359 KB

english, 2005

12

First-principles molecular-dynamics calculations and STM observations of dissociative adsorption of Cl2 and F2 on Si(0 0 1) surface

Hiromi Okada, Kouji Inagaki, Hidekazu Goto, Katsuyoshi Endo, Kikuji Hirose, Yuzo Mori

Journal:

Surface Science

Année:

2002

Langue:

english

Fichier:

PDF, 466 KB

english, 2002

13

First-principles analysis of He and H atom incidence onto hydrogen-terminated Si(001) 2 × 1 surface

Kouji Inagaki, Kikuji Hirose, Kiyoshi Yasutake

Journal:

Surface and Interface Analysis

Année:

2008

Langue:

english

Fichier:

PDF, 486 KB

english, 2008

14

Path-integral renormalization group treatments for many-electron systems with long-range repulsive interactions

Masashi Kojo, Kikuji Hirose

Journal:

Surface and Interface Analysis

Année:

2008

Langue:

english

Fichier:

PDF, 116 KB

english, 2008

15

First-principles study on STM current images of C2H2-adsorbed Si(001) surface

Yoshiyuki Egami, Tomoya Ono, Kikuji Hirose

Journal:

Surface and Interface Analysis

Année:

2008

Langue:

english

Fichier:

PDF, 462 KB

english, 2008

16

Electron transport simulations of a multilead system using the impulse-response method

Taku Suzuki, Hidekazu Goto, Kikuji Hirose

Journal:

Surface and Interface Analysis

Année:

2008

Langue:

english

Fichier:

PDF, 360 KB

english, 2008

17

First-principles study on electronic structure of Si/SiO2 interface—Effect of interface defects on local charge density

Katsuhiro Kutsuki, Tomoya Ono, Kikuji Hirose

Journal:

Science and Technology of Advanced Materials

Année:

2007

Langue:

english

Fichier:

PDF, 546 KB

english, 2007

18

First-Principles Study of Electron-Conduction Properties of Helical Gold Nanowires

Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review Letters

Année:

2005

Langue:

english

Fichier:

PDF, 527 KB

english, 2005

19

An explanation of the wetting and the mutual diffusion mechanisms of liquid metals using ab-initio atomic orbital calculation

Hiromichi Toyota, Takashi Ide, Hidetsugu Yagi, Hidekazu Goto, Katsuyoshi Endo, Kikuji Hirose, Yuzo Mori

Journal:

Computational Materials Science

Année:

1999

Langue:

english

Fichier:

PDF, 90 KB

english, 1999

20

Chemisorption of OH on the H-terminated Si(0 0 1) surface

Hidekazu Goto, Kikuji Hirose, Masao Sakamoto, Kazuhisa Sugiyama, Koji Inagaki, Hachiro Tsuchiya, Itsuki Kobata, Tomoya Ono, Yuzo Mori

Journal:

Computational Materials Science

Année:

1999

Langue:

english

Fichier:

PDF, 205 KB

english, 1999

21

Observation of metal on Si(0 0 1) by STM/STS and its consideration based on the first principles calculations

Kenta Arima, Katsuyoshi Endo, Toshihiko Kataoka, Kikuji Hirose, Hidekazu Goto, Yasushi Oshikane, Haruyuki Inoue, Yoshitaka Tatara, Yuzo Mori

Journal:

Computational Materials Science

Année:

1999

Langue:

english

Fichier:

PDF, 337 KB

english, 1999

22

First-principles simulations of removal process in EEM (Elastic Emission Machining)

Kazuto Yamauchi, Kikuji Hirose, Hidekazu Goto, Kazuhisa Sugiyama, Koji Inagaki, Kazuya Yamamura, Yasuhisa Sano, Yuzo Mori

Journal:

Computational Materials Science

Année:

1999

Langue:

english

Fichier:

PDF, 228 KB

english, 1999

23

First-principles transport calculation method based on real-space finite-difference nonequilibrium Green's function scheme

Ono, Tomoya, Egami, Yoshiyuki, Hirose, Kikuji

Journal:

Physical Review B

Année:

2012

Langue:

english

Fichier:

PDF, 932 KB

english, 2012

24

Electron–electron correlation energy calculations by superposition of nonorthogonal Slater determinants

Sasaki, Akira, Hirose, Kikuji, Goto, Hidekazu

Journal:

Current Applied Physics

Année:

2012

Langue:

english

Fichier:

PDF, 347 KB

english, 2012

25

Essentially exact ground-state calculations by superpositions of nonorthogonal Slater determinants

Goto, Hidekazu, Kojo, Masashi, Sasaki, Akira, Hirose, Kikuji

Journal:

Nanoscale Research Letters

Année:

2013

Langue:

english

Fichier:

PDF, 322 KB

english, 2013

26

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

Tsukamoto, Shigeru, Hirose, Kikuji, Blügel, Stefan

Journal:

Physical Review E

Année:

2014

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2014

27

Time-saving first-principles calculation method for electron transport between jellium electrodes

Egami, Yoshiyuki, Hirose, Kikuji, Ono, Tomoya

Journal:

Physical Review E

Année:

2010

Langue:

english

Fichier:

PDF, 246 KB

english, 2010

28

first-principles calculation method for self-consistent ground-state electronic structures of semi-infinite systems

Sasaki, Takashi, Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review E

Année:

2006

Langue:

english

Fichier:

PDF, 418 KB

english, 2006

29

First-principles study of dielectric properties of bulk NaCl and ultrathin NaCl films under a finite external electric field

Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review B

Année:

2005

Langue:

english

Fichier:

PDF, 272 KB

english, 2005

30

First-principles study on scanning tunneling microscopy images of different hydrogen-terminated Si(110) surfaces

Horie, Shinya, Arima, Kenta, Hirose, Kikuji, Katoh, Jun, Ono, Tomoya, Endo, Katsuyoshi

Journal:

Physical Review B

Année:

2005

Langue:

english

Fichier:

PDF, 838 KB

english, 2005

31

Electron-transport properties of Na nanowires under applied bias voltages

Tsukamoto, Shigeru, Hirose, Kikuji

Journal:

Physical Review B

Année:

2002

Langue:

english

Fichier:

PDF, 238 KB

english, 2002

32

Direct minimization to generate electronic states with proper occupation numbers

Hirose, Kikuji, Ono, Tomoya

Journal:

Physical Review B

Année:

2001

Langue:

english

Fichier:

PDF, 72 KB

english, 2001

33

cages

Otani, Megumi, Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review B

Année:

2004

Langue:

english

Fichier:

PDF, 541 KB

english, 2004

34

Stabilized scattering wave-function calculations using the Lippmann-Schwinger equation for long conductor systems

Tsukamoto, Shigeru, Egami, Yoshiyuki, Hirose, Kikuji, Blügel, Stefan

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 506 KB

english, 2011

35

surface

Ono, Tomoya, Horie, Shinya, Endo, Katsuyoshi, Hirose, Kikuji

Journal:

Physical Review B

Année:

2006

Langue:

english

Fichier:

PDF, 628 KB

english, 2006

36

Erratum: First-principles treatments of electron transport properties for nanoscale junctions [Phys. Rev. B 67, 195315 (2003)]

Fujimoto, Yoshitaka, Hirose, Kikuji

Journal:

Physical Review B

Année:

2004

Langue:

english

Fichier:

PDF, 9 KB

english, 2004

37

First-principles path-integral renormalization-group method for Coulombic many-body systems

Kojo, Masashi, Hirose, Kikuji

Journal:

Physical Review A

Année:

2009

Langue:

english

Fichier:

PDF, 345 KB

english, 2009

38

First-principles study of Peierls instability in infinite single row Al wires

Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review B

Année:

2003

Langue:

english

Fichier:

PDF, 75 KB

english, 2003

39

First-principles treatments of electron transport properties for nanoscale junctions

Fujimoto, Yoshitaka, Hirose, Kikuji

Journal:

Physical Review B

Année:

2003

Langue:

english

Fichier:

PDF, 516 KB

english, 2003

40

Even-odd oscillation in conductance of a single-row sodium nanowire

Egami, Yoshiyuki, Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review B

Année:

2005

Langue:

english

Fichier:

PDF, 529 KB

english, 2005

41

wires suspended between semi-infinite crystalline electrodes

Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review B

Année:

2004

Langue:

english

Fichier:

PDF, 292 KB

english, 2004

42

Detailed analysis of scanning tunneling microscopy images of the Si(001) reconstructed surface with buckled dimers

Okada, Hiromi, Fujimoto, Yoshitaka, Endo, Katsuyoshi, Hirose, Kikuji, Mori, Yuzo

Journal:

Physical Review B

Année:

2001

Langue:

english

Fichier:

PDF, 406 KB

english, 2001

43

Atomic image of hydrogen-terminated Si(001) surfaces after wet cleaning and its first-principles study

Endo, Katsuyoshi, Arima, Kenta, Hirose, Kikuji, Kataoka, Toshihiko, Mori, Yuzo

Journal:

Journal of Applied Physics

Année:

2002

Langue:

english

Fichier:

PDF, 924 KB

english, 2002

44

Magnetic orderings in Al nanowires suspended between electrodes

Ono, Tomoya, Tsukamoto, Shigeru, Hirose, Kikuji

Journal:

Applied Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 339 KB

english, 2003

45

First-principles calculation of electronic polarization of III-V nanotubes

Otsuka, Jun, Hirose, Kikuji, Ono, Tomoya

Journal:

Physical Review B

Année:

2008

Langue:

english

Fichier:

PDF, 537 KB

english, 2008

46

Timesaving Double-Grid Method for Real-Space Electronic-Structure Calculations

Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review Letters

Année:

1999

Langue:

english

Fichier:

PDF, 141 KB

english, 1999

47

Mass Shift of Charmonium near Deconfining Temperature and Possible Detection in Lepton-Pair Production

Hashimoto, Takaaki, Miyamura, Osamu, Hirose, Kikuji, Kanki, Takeshi

Journal:

Physical Review Letters

Année:

1986

Langue:

english

Fichier:

PDF, 736 KB

english, 1986

48

Bridges

Ono, Tomoya, Hirose, Kikuji

Journal:

Physical Review Letters

Année:

2007

Langue:

english

Fichier:

PDF, 580 KB

english, 2007

49

First-principles calculation method of electron-transport properties of metallic nanowires

Fujimoto, Yoshitaka, Hirose, Kikuji

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 220 KB

english, 2003

50

Relationship between the geometric structure and conductance oscillation in nanowires

Egami, Yoshiyuki, Aiba, Shuichiro, Hirose, Kikuji, Ono, Tomoya

Journal:

Journal of Physics Condensed Matter

Année:

2007

Langue:

english

Fichier:

PDF, 541 KB

english, 2007