量子物性分光理論研究室 (Krüger Group)

Publications

Book Chapters

• Peter Krüger, Electronic Structure Theory for X-ray Absorption and Photoemission Spectroscopy
  In: Magnetism and Accelerator-Based Light Sources, Springer Proceedings in Physics, vol 262, chap. 3, pp 63-81, H. Bulou, L. Joly, J.-M. Mariot, F. Scheurer (eds), Springer, Cham, Heidelberg 2018.
• Peter Krüger, Multichannel Multiple Scattering Theory in R-Matrix Formalism
  In: Spectroscopies. Springer Proceedings in Physics, vol 204, chap. 5, pp 143-169, D. Sébilleau, K. Hatada, H. Ebert (eds), Springer, Cham, Heidelberg 2018.
• Peter Krüger and Calogero R. Natoli, L-Edge Absorption and Dichroism in Low Symmetry 3d0 Compounds,
  In: Spectroscopies. Springer Proceedings in Physics, vol 204 chap. 12, pp 283-288, Springer, Cham, Heidelberg 2018.
• A. Verdini, P. Krüger and L. Floreano, Resonant Photoelectron Diffraction,
  In: Surface Science Techniques. Springer Series in Surface Science, vol 51, chap.8, pp 217-247, G. Bracco and B. Holst (eds.), Springer, Berlin, 2013.

Peer-reviewed journal papers

- submitted -

• Improving the gas sensing response of cadmium zinc oxide nanocomposites through ion irradiation
  Arkaprava Das, Peter Krüger, Shuja Bashir Malik, Juan Casanova Chafer, Ewa Partyka Jankowska, Marcin Zajac, Eduard Llobet, Carla Bittencourt, submitted to Appl. Surf. Sci.

- published -

2025

1. How to compute density fluctuations at the nanoscale
   Peter Krüger, J. Chem. Theory Comput. (2025) accepted on 2024.12.20 (doi: 10.1021/acs.jctc.4c01047, arXiv)

2024

2. Reversible Sliding Motion by Hole-Injection in Ammonium-Linked Ferrocene, Electronically Decoupled from Noble Metal Substrate by Crown-Ether Template Layer,
   Fumi Nishino, Peter Krüger, Chi-Hsien Wang, Ryohei Nemoto, Yu-Hsin Chang,Takuya Hosokai, Yuri Hasegawa, Keisuke Fukutani, Satoshi Kera, Masaki Horie, Toyo Kazu Yamada, Small 20, 2408217 (2024) (doi: 10.1002/smll.202408217)
3. Computational method for angle-resolved photoemission spectra from repeated-slab band structure calculations,
   Misa Nozaki and Peter Krüger, Phys. Rev. B 110, 195406 (2024) (doi: 10.1103/PhysRevB.110.195406)
4. Contact Properties on a Semiconducting MoTe₂ Crystal Using Polymorphic Structure,
   Tianshun Xie, Mengnan Ke, Peter Krüger, Keiji Ueno, and Nobuyuki Aoki,
   ACS Appl. Electron. Mater. 6, 7026-7034 (2024) (doi: 10.1021/acsaelm.4c01369)
5. Characterizing the nonequilibrium response of FeRh thin films using time-domain thermoreflectance,
   Renee M. Harton, Alejandro Ceballos, Vivek Unikandanunni, Alexander X. Gray, Stefano Bonetti, Peter Krüger and Frances Hellman,
   Phys. Rev. B. 110, 094417 (2024) (doi: 10.1103/physrevb.110.094417, arXiv)
6. Emergence of two-dimensional F-induced Kagome lattices on Cu(111) surface,
   Dmitriy Muzychenko, Mikhail Petukhov, Peter Krüger, Sergei Oreshkin, Vlad Surov, Andrey Samorodskii, Andrey Oreshkin,
   J. Phys. Chem. C 128, 6119-6125 (2024) (doi: 10.1021/acs.jpcc.4c00403)
7. Designing 2D Stripe Winding Network Through Crown-Ether Intermediate Ullmann Coupling on Cu(111) Surface
   T. K. Yamada, R. Nemoto, H. Ishii, F. Nishino, Y.-H. Chang, C.-H. Wang, P. Krüger, M. Horie,
   Nanoscale Horiz. 9, 718 (2024). DOI: 10.1039/D3NH00586K, pdf.
8. Stabilization of high-pressure phase of CdO by nanoparticle formation in Cd_xZn_1-xO thin films,
   Arkaprava Das, C. Latouche, S. Jobic, E. Gautron, A. Merabet, M. Zajac, A. Shibui, P. Krüger, W.-H. Huang, C.-L. Chen, A. Kandasami, C. Bittencourt,
   Acta Materialia 267, 119744 (2024) (doi: 10.1016/j.actamat.2024.119744, pdf)
9. Reliable measurement of the density of states including occupied in-gap states of an amorphous In–Ga–Zn–O thin film via photoemission spectroscopies: Direct observation of light-induced in-gap states, R. Nakazawa, A. Matsuzaki, K. Shimizu, I. Nakamura, E. Kawashima, S. Makita, K. Tanaka, S. Yasuno, H. Sato, H. Yoshida, M. A. Jalebi, S. D. Stranks, S. Tadano, P. Krüger, Y. Tanaka, H. Tokairin, H. Ishii,
   J. Appl. Phys. 135, 085301 (2024). (doi: 10.1063/5.0185405, pdf)
10. On-Surface Growth of Transition-Metal Cobalt Nanoclusters Using 2D Crown-Ether Array,
    Toyo Kazu Yamada, Ryohei Nemoto, Fumi Nishino, Takuya Hosokai, Chi-Hsien Wang, Masaki Horie, Yuri Hasegawa, Satoshi Kera, Peter Krüger,
    J. Mater. Chem. C 12, 874 (2024) (doi: 10.1039/d3tc03339b, pdf)
11. Carrier doping of Bi2Se3 surface by chemical adsorption - a DFT study,
    Cheng Fan, Kazuyuki Sakamoto, Peter Krüger,
    Applied Surface Science 643, 158699 (2024) (doi: 10.1016/j.apsusc.2023.158699, pdf, SI.pdf, arXiv)

    2023

12. Surface electronic structure of Ni-doped Fe3O4(001),
    Mert Taskin, Zbynek Novotny, Nicolo Comini, J. Trey Diulus, Matthias Hengsberger, Peter Krüger, Jürg Osterwalder,
    Phys. Rev. B 108, 155403 (2023) (doi: 10.1103/PhysRevB.108.155403)
13. Inferring the Dy-N axis orientation in adsorbed DySc2N@C80 endofullerenes by linearly polarized x-ray absorption spectroscopy,
    R. Sagehashi, W. C. Lee, F. Liu, A. A. Popov, M. Muntwiler, B. Delley, P. Krüger and T. Greber,
    Physical Review Materials 7, 086001 (2023) (doi: 10.1103/PhysRevMaterials.7.086001, pdf)
14. Ni-single atom decorated mesoporous carbon electrocatalysts for hydrogen evolution reaction,
    Jin Woo Park, Godeung Park, Minjun Kim, Minsu Han, Jieun Jang, Yusuke Yamauchi, Brian Yuliarto, Peter Krüger, Jeonghun Kim, Nochang Park, Hyunsoo Lim,
    Chemical Engineering Journal 468, 143733 (2023) (doi: 10.1016/j.cej.2023.143733)
15. Hydrogen sensing mechanism of WS2 gas sensor analyzed by DFT and NAP-XPS,
    Tomoya Minezaki, Peter Krüger, Fatima E. Annanouch, Juan Casanova-Cháfer, Aanchal Alagh, Ignacio J. Villar-Garcia, Virginia Pérez-Dieste, Eduard Llobet and Carla Bittencourt, Sensors 23, 4623 (2023) (doi: 10.3390/s23104623)
16. First-principles calculation of ligand field parameters for L-edge spectra of transition metal sites of arbitrary symmetry,
    Peter Krüger, Symmetry 15, 472 (2023) (doi: 10.3390/sym15020472)
17. Theory of circular dichroism in angle-resolved resonant photoemission from magnetic surfaces,,
    Ryunosuke Sagehashi, Godeung Park and Peter Krüger, Physical Review B 107, 075407 (2023) (doi: 10.1103/PhysRevB.107.075407)
18. Improving MgO/Fe Insulator-Metal Interface Structure through Oxygen-Precoating of Fe(001),
    Nana K. M. Nazriq, Peter Krüger and Toyo Kazu Yamada, Applied Surface Science 618, 156628 (2023) (doi: 10.1016/j.apsusc.2023.156628)
19. Enhanced contact properties of MoTe₂-FET via laser-induced heavy doping,
    Tianshun Xie, Kazuki Fukuda, Mengnan Ke, Peter Krüger, Keiji Ueno, Gil-Ho Kim and Nobuyuki Aoki, Jpn. J. Appl. Phys. 62, SC1010 (2023) (doi: 10.35848/1347-4065/aca67e, pdf)

2022

20. 2D Mising Row Structure of Cuprous Fluoride on Cu(001),
    Mikhail N. Petukhov, Peter Krüger, Andrey I. Oreshkin, Dmitry A. Muzychenko, Sergei I. Oreshkin J. Phys. Chem. C 126, 21390 (2022) (doi: 10.1021/acs.jpcc.2c06295,pdf)
21. Kirkwood-Buff Integrals: from fluctuations in finite volumes to the thermodynamic limit,
    Jean-Marc Simon, Peter Krüger, Sondre Schnell, Thijs Vlugt, Signe Kjelstrup and Dick Bedeaux, J. Chem. Phys. 157, 130901 (2022), (doi: 10.1063/5.0106162, pdf)
22. Ultrawideband and high-resolution terahertz spectroscopy: structural identification of glucose,
    Katsuhiko Miyamoto, Tomohiro Yamasaki, Shota Tsuji, Godeung Park, Hirohisa Uchida, Akira Matsuura, Peter Krüger, Takashige Omatsu, Photonics 9, 602 (2022). (doi: 10.3390/photonics9090602)
23. Observation and theory of of strong circular dichroism in angle-resolved photoemission from graphite,
    Peter Krüger and Fumihiko Matsui, J. Electron Spectrosc. Related Phenom. 258, 147219 (2022) (doi: 10.1016/j.elspec.2022.147219, pdf)
24. Thermodynamic Analysis of Ar_xXe_1-x Solid Solutions Based on Kirkwood–Buff Theory,
    Masafumi Miyaji, Jean-Marc Simon and Peter Krüger, Physchem 2, 191-206 (2022). (doi: 10.3390/physchem2020014)

2021

25. Signature of Spin-Resolved Quantum Point Contact in p-Type Trilayer WSe2 van der Waals Heterostructure,
    Kohei Sakanashi, Peter Krüger, Kenji Watanabe, Takashi Taniguchi, Gil-Ho Kim, David K. Ferry, Jonathan P. Bird and Nobuyuki Aoki,, Nano Letters 21, 7534-7541 (2021) (doi: 10.1021/acs.nanolett.1c01828)
26. Validity of the compressibility equation and Kirkwood-Buff theory for crystalline matter,
    Peter Krüger, Physical Review E 103, L061301 (2021) (doi: 10.1103/PhysRevE.103.L061301)
27. Spatial Control of Charge Doping in n-Type Topological Insulators,
    Kazuyuki Sakamoto, Hirotaka Ishikawa, Takashi Wake, Chie Ishimoto, Jun Fujii, Hendrik Bentmann, Minoru Ohtaka, Kenta Kuroda, Natsu Inoue, Takuma Hattori, Toshio Miyamachi, Fumio Komori, Isamu Yamamoto, Cheng Fan, Peter Krüger, Hiroshi Ota, Fumihiko Matsui, Friedrich Reinert, José, Avila, Maria C. Asensio, Nano Letters 21, 4415-4422 (2021) (doi: 10.1021/acs.nanolett.1c01100)
28. 2p x-ray absorption spectroscopy of 3d transition metal systems,
    F. M.F. de Groot, ... Peter Krüger et al Journal of Electron Spectroscopy and Related Phenomena 249, 147061-147061 (2021) (doi: 10.1016/j.elspec.2021.147061)
29. Extension of Kirkwood–Buff theory to solids and its application to the compressibility of fcc argon,
    Masafumi Miyaji, Bastien Radola, Jean-Marc Simon, Peter Krüger J. Chem. Phys. 154, 164506 (2021) (doi: 10.1063/5.0049673)
30. Surface band characters of the Weyl semimetal candidate material MoTe2 revealed by one-step angle-resolved photoemission theory,
    Ryota Ono, Alberto Marmodoro, Jakub Schusser, Yoshitaka Nakata, Eike F. Schwier, Jürgen Braun, Hubert Ebert, Ján Minár, Kazuyuki Sakamoto, Peter Krüger, Physical Review B 103, 125139 (2021) (doi: 10.1103/PhysRevB.103.125139)
31. Surface structure of quasi-2D perovskite PEA2m MA n−2m Pb n I3n (n ≫ m),
    Abduheber Mirzehmet, Tomoki Ohtsuka, Syed A. Abd. Rahman, Takumi Aihara, Muhammad Akmal Kamarudin, Shahrir Razey Sahamir, Shuzi Hayase, Tomoki Yuyama, Peter Krüger, Hiroyuki Yoshida, Applied Physics Express 14, 031006-031006 (2021) (doi: 10.35848/1882-0786/abe1df)
32. Surface Termination of Solution‐Processed CH3NH3PbI3 Perovskite Film Examined using Electron Spectroscopies,
    Abduheber Mirzehmet, Tomoki Ohtsuka, Syed A. Abd. Rahman, Tomoki Yuyama, Peter Krüger, Hiroyuki Yoshida, Advanced Materials 33, 2004981-2004981 (2021) (doi: 10.1002/adma.202004981)

2020

33. Polarization dependent X-ray absorption near-edge spectra of boron nitride nanotubes,
    Peter Krüger, Yuya Maekawa, Adam Hitchcock and Carla Bittencourt, Radiat. Phys. Chem. 175, 108129 (2020). (doi: 10.1016/j.radphyschem.2019.01.014)
34. Ab initio calculation of ligand field multiplet parameters for transition metal L-edge spectra,
    Peter Krüger, Radiat. Phys. Chem. 175, 108051 (2020). (doi: 10.1016/j.radphyschem.2018.11.005)
35. Room-Temperature Deposition of Cobalt Monolayer on (7×4) Crown-Ether Ring Molecular Array : Ultra-High Vacuum STM and UPS Study,
    Ryohei Nemoto, Peter Krüger, Takuya Hosokai, Masaki Horie, Satoshi Kera, Toyo Kazu Yamada, Vacuum and Surface Science 63, 465-469 (2020) (doi: 10.1380/vss.63.465)
36. Ensemble averaged Madelung energies of finite volumes and surfaces,
    Peter Krüger Physical Review B 101, (2020) (doi: 10.1103/PhysRevB.101.205423)
37. Investigation of laser-induced-metal phase of MoTe2 and its contact property via scanning gate microscopy,
    Kohei Sakanashi, Hidemitsu Ouchi, Kota Kamiya, Peter Krüger, Katsuhiko Miyamoto, Takashige Omatsu, Keiji Ueno, Kenji Watanabe, Takashi Taniguchi, Jonathan P. Bird and Nobuyuki Aoki, Nanotechnology 31, 205205 (2020) (doi: 10.1088/1361-6528/ab71b8)
38. Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects,
    Noura Dawass, Peter Krüger, Sondre K. Schnell, Othonas A. Moultos, Ioannis G. Economou and Thijs J. H. Vlugt, Jean-Marc Simon Nanomaterials 10, 771 (2020) (doi: 10.3390/nano10040771)
39. Many-body and anisotropy effects in x-ray absorption spectra of pristine and defective vanadium pentoxide,
    Yu Fujikata, Fukiko Ota, Keisuke Hatada and Peter Krüger, Physical Review B 101, 125124 (2020) (doi: 10.1103/PhysRevB.101.125124)
40. Carbon Monoxide Stripe Motion Driven by Correlated Lateral Hopping in a 1.4 × 1.4 Monolayer Phase on Cu(111),
    Nana K. M. Nazriq, Peter Krüger and Toyo Kazu Yamada, The Journal of Physical Chemistry Letters 11, 1753-1761 (2020) (doi: 10.1021/acs.jpclett.9b03645)
41. Direct Imaging of Precursor Adcomplex States during Cryogenic-Temperature On-Surface Metalation: Scanning Tunneling Microscopy Study on Porphyrin Array with Fe Adsorption at 78.5 K,
    Eiichi Inami, Masataka Yamaguchi, Ryohei Nemoto, Hideki Yorimitsu, Peter Krüger and Toyo Kazu Yamada, The Journal of Physical Chemistry C 124, 3621-3631 (2020) (doi: 10.1021/acs.jpcc.9b09795)

2019

42. Well-Ordered Monolayer Growth of Crown-Ether Ring Molecules on Cu(111) in Ultra-High Vacuum: An STM, UPS, and DFT Study,
    Ryohei Nemoto, Peter Krüger, Ayu Novita Putri Hartini, Takuya Hosokai, Masaki Horie, Satoshi Kera and Toyo Kazu Yamada, The Journal of Physical Chemistry C 123, 18939-18950 (2019) (doi: 10.1021/acs.jpcc.9b03335)
43. Obtaining the Highest Occupied Molecular Orbital Peak of Organic Matter from Photoelectron Yield Spectra,
    Shohei Tadano, Yasuo Nakayama, Hiroumi Kinjo, Hisao Ishii and Peter Krüger, Physical Review Applied 11, 054081 (2019) (doi: 10.1103/physrevapplied.11.054081)
44. Kirkwood-Buff integrals from molecular simulation,
    N. Dawass, P. Krüger, J.-M. Simon and T. J. H. Vlugt, Fluid Phase Equilibria 486, 21-36 (2019). DOI: 10.1016/j.fluid.2018.12.027, preprint.

2018

45. Simple model of the ground state and spin-orbital excitations of free and adsorbed Fe(II) phthalocyanine molecules,
    C. R. Natoli, P. Krüger, Y. Yoshimoto, J. Bartolomé and F. Bartolomé, Phys. Rev. B 98, 195108 (2018) (doi:10.1103/PhysRevB.98.195108)
46. Nanoscale NEXAFS for Probing TiO2-B Nanoribbons,,
    C. Bittencourt, S. Werner, C. Haebel, P. Guttman, M. Sluban, P. Umek, P. Guttmann and P. Krüger, Microsc. Microanal. 24 (S2), 474-475 (2018) (doi:10.1017/S1431927618014605）
47. Size and shape dependence of finite volume Kirkwood-Buff integrals,
    P. Krüger and T. J. H. Vlugt, Phys. Rev. E 97, 051301(R) (2018) (doi:10.1103/PhysRevE.97.051301)
48. Determination of the ground state of an Au-supported FePc film based on the interpretation of Fe K- and L-edge x-ray magnetic circular dichroism measurements,
    C. R. Natoli, P. Krüger, J. Bartolomé and F. Bartolomé, Phys. Rev. B 97, 155139 (2018) (doi:10.1103/PhysRevB.97.155139)
49. A one-dimensional model for photoemission calculations from plane-wave band structure codes,
    R. Ono and P. Krüger, e-J. Surf. Sci. Nanotechnol. 16, 49-52 (2018) (doi:10.1380/ejssnt.2018.49)
50. Photoelectron diffraction from valence states of oriented molecules,
    P. Krüger, J. Phys. Soc. Japan 87, 061007 (2018) (doi: 10.7566/JPSJ.87.061007)
51. Kirkwood-Buff integrals of finite system: shape effects,
    N. Dawass, P. Krüger, J.-M. Simon and T. J. H. Vlugt, Molecular Physics 116, 1573-1580 (2018) (doi: 10.1080/00268976.2018.1434908)
52. Direct Observation of Room-Temperature Stable Magnetism in LaAlO3/SrTiO3 Heterostructures,
    M. Yang, J. Zhou, T. C. Asmara, P. Krüger, X. J. Yu, X. Wang, C. Sanchez-Hanke, Y. P. Feng, T. Venkatesan and A. Rusydi, ACS Appl. Mater. Interfaces 10, 9774-9781 (2018) (doi: 10.1021/acsami.7b12945)
53. Finite-size effects of Kirkwood-Buff integrals from molecular simulations,
    N. Dawass, P. Krüger, S. K. Schnell, D. Bedeaux, S. Kjelstrup, J.-M. Simon and T. J. H. Vlugt, Molecular Simulation 44, 599-612 (2018) (doi: 10.1080/08927022.2017.1416114)

    2017

54. Effective mass effect in attosecond electron transport,
    Lamia Kasmi, Matteo Lucchini, Luca Castiglioni, Pavel Kliuiev , Jürg Osterwalder, Matthias Hengsberger, Lukas Gallmann, Peter Krüger and Ursula Keller, Optica 4, 1492-1497 (2017) (doi: 10.1364/OPTICA.4.001492)
55. Chemical Bond Modification upon Phase Transformation of TiO2 Nanoribbons Revealed by Nanoscale X-ray Linear Dichroism,
    P. Krüger, M. Sluban, P. Umek, P. Guttmann and C. Bittencourt, J. Phys. Chem. C 121, 17038-17042 (2017) (doi: 10.1021/acs.jpcc.7b06968)
56. Multiple scattering approach to photoemission from the highest occupied molecular orbital of pentacene,
    N. Komiya, K. Hatada, F. Ota, P. Krüger, T. Fuijikawa, K. Niki, J. Electron Spectrosc. Related Phenom. 220, 21-24 (2017) (doi: 10.1016/j.elspec.2017.04.002)

    2016

57. Nanoscale-Barrier Formation Induced by Low-Dose Electron-Beam Exposure in Ultrathin MoS2 Transistors ,
    M. Matsunaga, A. Higuchi, G. He, T. Yamada, P. Krüger, Y. Ochiai, Y. Gong, R. Vajtai, P. M. Ajayan, J. P. Bird and N. Aoki, ACS Nano 10, 9730-9737 (2016) (doi: 10.1021/acsnano.6b05952)
58. Gap state imaging and spin-orbit effects in resonant photoelectron diffraction,
    Peter Krüger and Fabiana Da Pieve, Surf. Interface Anal., 48, 1169-1174 (2016) . (doi: 10.1002/sia.6182)
59. ES2MS: An interface package for passing self-consistent charge density and potential from Electronic Structure codes To Multiple Scattering codes,
    Junqing Xu, Calogero R. Natoli, Peter Krüger, Kuniko Hayakawa, Didier Sébilleau, Li Song, and Keisuke Hatada, Computer Physics Communications 203, 331-338 (2016) (doi: 10.1016/j.cpc.2016.02.031)
60. Theory of x-ray absorption and linear dichroism at the Ca L₂₃-edge of CaCO₃,
    Peter Krüger and Calogero R. Natoli, J. Phys.: Conf. Ser. 712, 012007 (2016) (doi: 10.1088/1742-6596/712/1/012007)

2015

61. Individual Titanate Nanoribbons Studied by 3D-resolved Polarization Dependent X-ray Absorption Spectra Measured with Scanning Transmission X-ray Microscopy,
    Xiaohui Zhu, Adam Hitchcock, Carla Bittencourt, Polona Umek and Peter Krüger, J. Phys. Chem. C 119, 24192-24200 (2015) (doi: 10.1021/acs.jpcc.5b08539)
62. X-ray absorption spectra of graphene and graphene oxide by full-potential multiple scattering calculations with self-consistent charge density,
    Junqing Xu, Peter Krüger, Calogero R. Natoli, Kuniko Hayakawa, Ziyu Wu and Keisuke Hatada, Phys. Rev. B 92, 125408 (2015) (doi: 10.1103/PhysRevB.92.125408)
63. Electron-phonon coupling in the bulk of anatase TiO₂ measured by resonant inelastic x-ray spectroscopy,
    S. Moser, S. Fatale, P. Krüger, H. Berger, P. Bugnon, A. Magrez, H. Niwa, J. Miyawaki, Y. Harada, and M. Grioni, Phys. Rev. Lett. 115, 096404 (2015) (doi: 10.1103/PhysRevLett.115.096404)
64. Quadrupolar XMCD at the Fe K-edge in Fe Phthalocyanine on Au: an insight into the magnetic ground state,
    Juan Bartolomé, Fernando Bartolomé, Adriana I. Figueroa, Oana Bunau, Ivan K. Schuller, Thomas Gredig, Fabrice Wilhelm, Andrei Rogalev, Peter Krüger and Calogero R. Natoli,
    Phys. Rev. B 91, 220401(R) (2015) (doi: 10.1103/PhysRevB.91.220401)
65. Molecular Nitrogen in N-doped TiO₂ Nanoribbons,
    Carla Bittencourt, Melita Rutar, Polona Umek, Als Mrzel, Katja Vorzel, Denis Arcon, Katja Henzler, Peter Krüger and Peter Guttmann,
    RSC Adv. 5, 23350 (2015). (doi: 10.1039/C4RA14410D)

2014

66. Electronic structure, lattice dynamics and thermodynamic stability of paramelaconite Cu4O3,
    Lamjed Debbichi, Maria C. Marco de Lucas, Peter Krüger
    Mater. Chem. and Phys. 148, 293 (2014), (doi: 10.1016/j.matchemphys.2014.07.046)
67. Interaction of Mo(CO)6 and its derivative fragments with the Cu(001) surface: Influence on the decomposition process,
    C. Dupont, X. Wan, M. Petukhov, P. Krüger Int. J. Quantum Chem. 114, 1630 (2014) (Cover). (doi: 10.1002/qua.24744 )
68. Optical and Acoustic Vibrations Confined in Anatase TiO₂ Nanoparticles Under High-Pressure,
    L. Saviot, D. Machon, L. Debbichi, A. Girard, J. Margueritat, P. Krüger, M. C. Marco de Lucas, A. Mermet
    J. Phys. Chem. C 118 (2014) 10495. (doi: 10.1021/jp502409e )

2013

69. Real-space Green''s function approach to angle-resolved resonant photoemission: Spin polarization and circular dichroism in itinerant magnets
    Fabiana Da Pieve and Peter Krüger
    Phys. Rev. B 88, 115121 (2013). ( doi: 10.1103/PhysRevB.88.115121 )
70. Mo(CO)6 Dissociation on Cu(111) Stimulated by Scanning Tunneling Microscope
    M. Petukhov, P. Krüger, B. Domenichini and S. Bourgeois
    Surface Science 617, 10-14 (2013). ( doi: 10.1016/j.susc.2013.07.028 )
71. How to apply the Kirkwood-Buff theory to individual species in salt solutions
    S. K. Schnell, P. Englebienne, J.M. Simon, P. Krüger, S. P. Balaji, S. Kjelstrup, D. Bedeaux, A. Bardow and T.J.H. Vlugt
    Chemical Physics Letters 582, 154 (2013). ( doi: 10.1016/j.cplett.2013.07.043 )
72. Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures
    X. Liu, S. K. Schnell, J.M. Simon, P. Krüger, D. Bedeaux, S. Kjelstrup, A. Bardow and T.J.H. Vlugt
    International Journal of Thermophysics 34, 1169 (2013). ( doi: 10.1007/s10765-013-1482-3 )
73. Cationic vacancies and anomalous spectral-weight transfer in Ti1－xTaxO2 thin films studied via polarization-dependent near-edge x-ray absorption fine structure spectroscopy
    Dong-Chen Qi, A.R. Barman, L. Debbichi, S. Dhar, I. Santoso, T. C. Asmara, H. Omer, K. Yang, P. Krüger, A.T.S. Wee, T. Venkatesan, and A. Rusydi,
    Phys. Rev. B 87, 245201 (2013) ( doi: 10.1103/PhysRevB.87.245201 )
74. First-Principles Calculations of Angle-Resolved and Spin-Resolved Photoemission Spectra of Cr(110) Surfaces at the 2p-3d Cr Resonance
    Fabiana Da Pieve and Peter Krüger,
    Phys. Rev. Lett. 110, 127401 (2013) ( doi: 10.1103/PhysRevLett.110.127401 )
75. Second-order Raman scattering in CuO
    A. P. Litvinchuk, A. Moller, L. Debbichi, P. Krüger, M. N. Iliev, and M. M. Gospodinov,
    Journal of Physics: Condensed Matter 25, 105402 (2013) ( doi: 10.1088/0953-8984/25/10/105402 )
76. Kirkwood-Buff Integrals for Finite Volumes
    Peter Krüger, Sondre K. Schnell, Dick Bedeaux, Signe Kjelstrup, Thijs J. H. Vlugt and Jean-Marc Simon,
    J. Phys. Chem. Lett. 4 (2013) 235-238. ( doi: 10.1021/jz301992u )

2012

77. First-principles study of hexagonal tungsten trioxide: Nature of lattice distortions and effect of potassium doping
    P. Krüger, I. Koutiri and S. Bourgeois,
    Phys. Rev. B 86, 224102 (2012). ( doi: 10.1103/PhysRevB.86.224102 )
78. Towards atomic resolution in sodium titanate nanotubes using near-edge X-ray-absorption fine-structure spectromicroscopy combined with multichannel multiple-scattering calculations
    C. Bittencourt, P. Krüger, M. J. Lagos, Xiaoxing Ke, G. Van Tendeloo, C. Ewels, P. Umek and P. Guttmann
    Beilstein J. Nanotechnol. 3 (2012) 789-797. ( doi: 10.3762/bjnano.3.88 )
79. Multiple scattering theory for non-local and multichannel potentials
    C. R. Natoli, P. Krüger, K. Hatada, K. Hayakawa, D. Sebilleau and O. Sipr
    J. Phys.: Condens. Matter 24, 365501 (2012) ( doi: 10.1088/0953-8984/24/36/365501 )
80. Electronic Structure Changes across the Metamagnetic Transition in FeRh via Hard X-Ray Photoemission
    A. X. Gray, D. W. Cooke, P. Krüger, C. Bordel, A. M. Kaiser, S. Moyerman, E. E. Fullerton, S. Ueda, Y. Yamashita, A. Gloskovskii, C. M. Schneider, W. Drube, K. Kobayashi, F. Hellman and C. S. Fadley
    Phys. Rev. Lett. 108, 257208 (2012) ( doi: 10.1103/PhysRevLett.108.257208 )
81. Monolayer Formation of Molybdenum Carbonyl on Cu(111) Revealed by Scanning Tunneling Microscopy and Density Functional Theory,
    Peter Krüger, Mikhail Petukhov, Bruno Domenichini, Andras Berko and Sylvie Bourgeois
    J. Phys. Chem. C, 116 (2012) pp 10617-10622 ( doi: 10.1021/jp300832a )
82. Vibrational Properties of CuO and Cu₄O₃ from First Principles Calculations, Raman and Infrared Spectroscopy,
    L. Debbichi, M. C. Marco de Lucas, J.-F. Pierson and Peter Krüger
    J. Phys. Chem. C, 116 (2012) pp 10232-10237 ( doi: 10.1021/jp303096m )
83. Intrinsic Nature of the Excess Electron Distribution at the TiO₂(110) Surface,
    P. Krüger, J. Jupille, S. Bourgeois, B. Domenichini, A. Verdini, L. Floreano and A. Morgante
    Phys. Rev. Lett. 108, 126803 (2012). ( doi: 10.1103/PhysRevLett.108.126803 )

2011

84. High resolution photoemission and x-ray absorption spectroscopy of a lepidocrocite-like TiO₂ nanosheet on Pt(110) (1 x 2) ,
    L. E. Walle, S. Agnoli, I.-H. Svenum, A. Borg, L. Artiglia, P. Krüger, A. Sandell and G. Granozzi
    J. Chem. Phys. 135 (2011) 054706 (7 pages) ( doi: 10.1063/1.3623271 )
85. Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111),
    P. Krüger, F. Da Pieve and J. Osterwalder
    Phys. Rev. B 83, 115437 (2011) [8 pages] ( doi: 10.1103/PhysRevB.83.115437 )

2010

86. A First Principles Study on Charge Dependent Diffusion of Point Defects in Rutile TiO₂,
    A. Md. Asaduzzaman and P. Krüger,
    J. Phys. Chem. C 114 (2010) pp 19649-19652 ( doi: 10.1021/jp107986a )
87. New fine structures resolved at the ELNES Ti-L_2,3 edge spectra of anatase and rutile: Comparison between experiments and calculation,
    M. C. Cheynet, S. Pokrant, S. Irsen and P. Krüger,
    Ultramicroscopy 110 (2010) 1046 ( doi: 10.1016/j.ultramic.2010.03.001 )
88. Multichannel multiple scattering calculation of L_2,3-edge spectra of TiO₂ and SrTiO₃: Importance of multiplet coupling and band structure,
    P. Krüger,
    Phys. Rev. B 81 (2010) 125121 (6p) ( doi: 10.1103/PhysRevB.81.125121 )
89. Resonant photoelectron and photoelectron diffraction across the FeL₃ edge of Fe₃O₄,
    H. Magnan, P. Le Fevre, D. Chandesris, P. Krüger, S. Bourgeois, B. Domenichini, A. Verdini, L. Floreano and A. Morgante,
    Phys. Rev. B 81 (2010) 085121 (6p) ( doi: 10.1103/PhysRevB.81.085121 )

2009

90. Multiplet coupling and band structure in L_2,3-edge XAS through multi-channel multiple scattering theory,
    Peter Krüger,
    Journal of Physics: Conference Series 190 (2009) 012006 (11 pages) ( doi: 10.1088/1742-6596/190/1/012006 )
91. Molybdenum thin film growth on a TiO₂ (110) substrate,
    P. Krüger, M. Petukhov, B. Domenichini and S. Bourgeois,
    J. Mol. Struct: THEOCHEM 903 (2009) 67-72 ( doi: 10.1016/j.theochem.2008.11.041 )
92. Molybdenum Clusters on a TiO₂(110) Substrate Studied by Density Functional Theory,
    P. Krüger,
    J. Phys. Chem. C 113 (13) (2009) 5308-5312 ( doi: 10.1021/jp810886v )

2008

93. Adsorption of 3d Transition Elements on a TiO₂(110) Surface,
    Abu Md. Asaduzzaman and and Peter Krüger,
    J. Phys. Chem. C, 112 (2008) 19616-19619 ( doi: 10.1021/jp807060x )
94. Adsorption and cluster growth of vanadium on TiO₂(110) studied by density functional theory,
    Abu Md. Asaduzzaman and and Peter Krüger,
    J. Phys. Chem. C 112 (12) (2008) 4622-4625 ( doi: 10.1021/jp710323a )
95. Field-induced tip-sample oxygen transfer in scanning tunneling microscopy on TiO₂(1 1 0) (1x1),
    M. Petukhov, P. Krüger, B. Domenichini and S. Bourgeois,
    Surface Science 602 (2008) 2558-2562 ( doi: 10.1016/j.susc.2008.06.005 )
96. Defect states at the TiO₂(110) surface probed by resonant photoelectron diffraction,
    P. Krüger, S. Bourgeois, B. Domenichini, H. Magnan, D. Chandesris, P. Le Fevre, A. M. Flank, J. Jupille, L. Floreano, A. Cossaro, A. Verdini and A. Morgante,
    Phys. Rev. Lett. 100 (2008) 055501 ( doi: 10.1103/PhysRevLett.100.055501 )
97. Influence of sp-d hybridization on the electronic structure of Al-Mn alloys,
    A. K. Shukla, C. Biswas, R. S. Dhaka, S. C. Das, P. Krüger and S. R. Barman,
    Phys. Rev. B 77 (2008) 195103 ( doi: 10.1103/PhysRevB.77.195103 )

2007

98. Adsorption and diffusion of a molybdenum atom on the TiO₂(110) surface: A first-principles study,
    A. M. Asaduzzaman and P. Krüger,
    Phys. Rev. B 76 (2007) 115412, ( doi: 10.1103/PhysRevB.76.115412 )
99. Defects at the TiO₂(1 0 0) surface probed by resonant photoelectron diffraction,
    P. Krüger, S. Bourgeois, B. Domenichini, H. Magnan, D. Chandesris, P. Le Fevre, L. Floreano, A. Cossaro, A. Verdini and A. Morgante,
    Surface Science 601 (2007) 3952-3955, ( doi: 10.1016/j.susc.2007.04.033 )
100. Understanding the 2p core-level spectra of manganese: Photoelectron spectroscopy experiments and Anderson impurity model calculations,
     A.K. Shukla, P. Krüger, R.S. Dhaka, D.I. Sayago, K. Horn and S.R. Barman,
     Phys. Rev. B 75 (23) (2007) 235419, ( doi: 10.1103/PhysRevB.75.235419 )

2006

101. Dynamics of molybdenum nano structure formation on the TiO₂(1 1 0) surface: A kinetic Monte Carlo approach,
     G. Le Saux, P. Krüger, B. Domenichini, L. Imhoff and S. Bourgeois,
     Appl. Surf. Sci. 252 (2006) 5399-5402, ( doi: 10.1016/j.apsusc.2005.12.053 )
102. Experimental and theoretical evidence for substitutional molybdenum atoms in the TiO₂(110) subsurface,
     B. Domenichini, G.A. Rizzi, P. Krüger, M. Della Negra, Z.S. Li, M. Petukhov, G. Granozzi, P.J. Moller and S. Bourgeois,
     Phys. Rev. B 73 (24) (2006) 245433 ( doi: 10.1103/PhysRevB.73.245433 )
103. Theoretical study of resonant X-ray emission spectroscopy of Mn films on Ag,
     M. Taguchi, P. Krüger, J.-C. Parlebas and A. Kotani,
     Phys. Rev. B, 73 (2006) 125404/1-125404/8 ( doi: 10.1103/PhysRevB.73.125404 )

2005

104. Reactivity between molybdenum and TiO₂ (1 1 0) surfaces: evidence of a sub-monolayer mode and a multilayer mode,
     B. Domenichini, P. Krüger, A. Brevet, S. Bourgeois, Z. Li and J.-P. Moller,
     Appl. Surf. Sci., 244 (2005) pp. 403-407 ( doi: 10.1016/j.apsusc.2004.09.149 )
105. Theoretical study of X-ray photoemission, X-ray absorption and resonant X-ray emission spectroscopy of Mn films on Ag,
     M. Taguchi, P. Krüger, J.-C. Parlebas and A. Kotani ,
     Phys. Scripta, T115 (2005) pp. 122-124
106. Multi-channel multiple scattering theory for XAFS. Application to the L_2,3 edges of Ca,
     P. Krüger and C.R. Natoli,
     Phys. Scripta, T115 (2005) pp. 146-148
107. Theory of Ca L_2,3-edge XAS using a novel multichannel multiple-scattering method,
     P. Krüger and C.R. Natoli,
     J. Synchrotron Rad., 12 (2005) pp. 80-84 ( doi: 10.1107/S0909049504027888 )

2004

108. X-ray absorption spectra at the Ca L_2,3 edge calculated within multichannel multiple scattering theory,
     P. Krüger and C.R. Natoli,
     Phys. Rev. B, 70 (2004) 245120.1-245120.10 ( doi: 10.1103/PhysRevB.70.245120 )
109. Theoretical study of X-ray photoemission, X-ray absorption and resonant X-ray emission spectroscopy at Mn L_2,3 edge of Mn films on Ag,
     M. Taguchi, P. Krüger, J.-C. Parlebas and A. Kotani,
     J. Phys. Soc. Jpn, 73 (2004) 1347-1354 ( doi: 10.1143/JPSJ.73.1347 )

2003

110. Calculation of core-level photoemission spectra of Mn films on Ag(001),
     P. Krüger and A. Kotani,
     Phys. Rev. B 68 (2003), 035407 ( doi: 10.1103/PhysRevB.68.035407 )

2002

111. Impurity model calculations for Mn 2p photoemission spectra of ultrathin films on Ag(001),
     P. Krüger,
     Physica B 318 (2002), 310 ( doi: 10.1016/S0921-4526(02)00796-2 )

2001

112. Magnetic structure of fcc Fe on Cu(111),
     P. Krüger,
     Phys. Rev. B 64 (2001), 094404 ( doi: 10.1103/PhysRevB.64.094404 )

2000

113. Magnetism of 3d transition metal monolayers on Cu(111) and Ag(111),
     P. Krüger, M. Taguchi, and S. Meza-Aguilar,
     Phys. Rev. B 61 (2000), 15277 ( doi: 10.1103/PhysRevB.61.15277 )
114. Magnetism of hexagonal V and Cr monolayers, free-standing and absorbed on Ag(111),
     M. Taguchi, C. Demangeat, J. C. Parlebas, and P. Krüger,
     Comput. Mat. Sci. 17 (2000), 459 ( doi: 10.1016/S0927-0256(00)00069-0 )

1999

115. 3s photoemission spectra of 3d-transition-metal adatoms on graphite,
     P. Krüger, J. C. Parlebas, and A. Kotani,
     Phys. Rev. B 59 (1999), 15093 ( doi: 10.1103/PhysRevB.59.15093 )
116. Growth and magnetism of Ru films on graphite,
     C. Binns, S. H. Baker, K. W. Edmonds, P. Krüger, J. C. Parlebas, and C. Demangeat,
     J. Magn. Soc. Japan 23 (1999), 593
117. 3s photoemission spectra of 3d-transition-metal atoms on graphite,
     P. Krüger, M. Taguchi, A. Kotani, and J. C. Parlebas,
     Physica B 259-261 (1999), 1112 ( doi: 10.1016/S0921-4526(98)00894-1 )

1998

118. Magnetism of epitaxial 3d transition metal monolayers on graphite,
     P. Krüger, A. Rakotomahevitra, J. C. Parlebas, and C. Demangeat,
     Phys. Rev. B 57 (1998), 5276 ( doi: 10.1103/PhysRevB.57.5276 )
119. Calculation of 3s photoemission spectra of 3d transition metal atoms on graphite,
     P. Krüger, M. Taguchi, J. C. Parlebas, and A. Kotani,
     J. Electron Spectrosc. Relat. Phenom. 92 (1998), 91 ( doi: 10.1016/S0368-2048(98)00107-8 )
120. Magnetism of epitaxial Ru and Rh monolayers on graphite,
     P. Krüger, J. C. Parlebas, G. Moraitis, and C. Demangeat,
     Comput. Mat. Sci. 10 (1998), 265 ( doi: 10.1016/S0927-0256(97)00118-3 )

1997

121. Calculation of 3s photoemission spectra of vanadium on graphite,
     P. Krüger, M. Taguchi, J. C. Parlebas, and A. Kotani,
     Phys. Rev. B 55 (1997), 16466 ( doi: 10.1103/PhysRevB.55.16466 )
122. Magnetism of hexagonal 4d transition metal monolayers,
     P. Krüger, A. Rakotomahevitra, G. Moraitis, J. C. Parlebas, and C. Demangeat,
     Physica B 237-238 (1997), 278 ( doi: 10.1016/S0921-4526(97)00166-X )
123. Calculation for core-s-XPS of transition metals on graphite,
     J. C. Parlebas, P. Krüger, M. Taguchi, C. Demangeat, and A. Kotani,
     Surf. Sci. 377-379 (1997), 177 ( doi: 10.1016/S0039-6028(96)01342-8 )

1996

124. Magnetic structures of bct manganese in the bulk and at the (001) surface,
     P. Krüger, O. Elmouhssine, C. Demangeat and J. C. Parlebas,
     Phys. Rev. B 54 (1996), 6393 ( doi: 10.1103/PhysRevB.54.6393 )
125. Spin-polarization of thin Mn films on Fe(107),
     O. Elmouhssine, M. Freyss, P. Krüger, J. C. Parlebas, C. Demangeat, J. Khalifeh, A. Vega, and A. Mokrani,
     J. Magn. Magn. Mat. 156 (1996), 199 ( doi: 10.1016/0304-8853(95)00840-3 )
126. Magnetic structure of bct manganese in the bulk and at the (001) surface,
     P. Krüger, O. Elmouhssine, C. Demangeat and J. C. Parlebas,
     J. Magn. Magn. Mat. 156 (1996), 91 ( doi: 10.1016/0304-8853(95)00801-2 )
127. Magnetism of a Ru adlayer on graphite,
     P. Krüger, C. Demangeat, J. C. Parlebas, and A. Mokrani,
     Mat. Sci. Engin. B 37 (1996), 242 (doi: 10.1016/0921-5107(95)01497-7 )

1994

128. On an analytic expression for the one-magnon dispersion relation in a Heisenberg antiferromagnet,
     P. Krüger and P. Schuck,
     Europhys. Lett. 27 (1994), 395 (doi: 10.1209/0295-5075/27/5/011)

Others

• [Synchrotron Highlight] Probing electronic charge localisation in semiconductors by resonant photoelectron difraction,
  P. Krüger, S. Bourgeois, B. Domenichini, H. Magnan, D. Chandesris, P. Le Fevre, A. M. Flank, J. Jupille, L. Floreano, A. Cossaro, A. Verdini and A. Morgante,
  ELETTRA Research Highlights 2007-08, p.42-43 (pdf.file)
• 「表面物理　談話室」Bridging the gap,
  Peter Krüger, 表面物理 Vol. 36, No. 9, pp 489-491, 2015.