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A Multiple-Scattering Computing Platform For (Nano) Materials

Publications

Phonon effects on X-ray absorption and X-ray photoemission spectra

Author(s): Hiroto Sakuma; Takashi Fujikawa; Kaori Niki; Didier Sébilleau
Published in: HAL CCSD https://hal-univ-rennes1.archives-ouvertes.fr/hal-01109966 2015
Permanent ID: Digital Object Identifier:10.1016/j.elspec.2014.12.002

Interplay of electron heating and saturable absorption in ultrafast extreme ultraviolet transmission of condensed matter

Author(s): Andrea Di Cicco; Erika Giangrisostomi; Keisuke Hatada; Keisuke Hatada; Adriano Filipponi; Roberto Gunnella; Claudio Masciovecchio; Filippo Bencivenga; Emiliano Principi
Published in: American Physical Society (APS) 2014
Permanent ID: Digital Object Identifier:10.1103/physrevb.90.220303

Nanoclusters Synthesized by Synchrotron Radiolysis in Concert with Wet Chemistry

Author(s): Keisuke Hatada; Hideaki Maeda; Hideaki Maeda; Masato Uehara; A. Fukano; Kenichi Yamashita; Kuniko Hayakawa; Ling Zhang; Yuuichi Orimoto; Yuuichi Orimoto; Hiroyuki Nakamura; Zhihu Sun; Zhihu Sun; Hiroyuki Oyanagi
Published in: Nature Publishing Group 2014
Permanent ID: Digital Object Identifier:10.1038/srep07199; PubMed Central ID:PMC4244621; PubMed ID:25425181

X-ray absorption spectra of graphene and graphene oxide by full-potential multiple scattering calculations with self-consistent charge density

Author(s): Kuniko Hayakawa; Ziyu Wu; Calogero R. Natoli; Junqing Xu; Keisuke Hatada; Keisuke Hatada; Peter Krüger
Published in: HAL CCSD https://hal-univ-rennes1.archives-ouvertes.fr/hal-01225628 2015
Permanent ID: Digital Object Identifier:10.1103/physrevb.92.125408

Layer-resolved study of Mg atom incorporation at the MgO/Ag(001) buried interface

Author(s): Jaouen, Thomas; Tricot, Sylvain; Delhaye, Gabriel; Lépine, Bruno; Sébilleau, Didier; Jézéquel, Guy; Schieffer, Philippe
Permanent ID: Digital Object Identifier:10.1103/physrevlett.111.027601; arXiv:1306.6158

New Graphical User Interface for EXAFS analysis with the GNXAS suite of programs

Author(s): Marco Minicucci; Andrea Di Cicco; Keisuke Hatada; Keisuke Hatada; F. Iesari; Leonardo Properzi
Published in: IOP Publishing https://hal-univ-rennes1.archives-ouvertes.fr/hal-01372790 2015
Permanent ID: Digital Object Identifier:10.1088/1742-6596/712/1/012002

An efficient Multiple Scattering method based on partitioning of scattering matrix by angular momentum and approximations of matrix elements

Author(s): Xu, Junqing; Hatada, Keisuke; Sébilleau, Didier; Song, Li
Permanent ID: arXiv:1604.04846

ES2MS: An interface package for passing self-consistent charge density and potential from Electronic Structure codes To Multiple Scattering codes

Author(s): Li Song; Peter Krüger; Keisuke Hatada; Keisuke Hatada; Didier Sébilleau; Calogero R. Natoli; Kuniko Hayakawa; Junqing Xu
Published in: Elsevier BV Computer Physics Communications, Elsevier, 2016, 203, pp.331-338. ⟨10.1016/j.cpc.2016.02.031⟩ 2016
Permanent ID: Digital Object Identifier:10.1016/j.cpc.2016.02.031

New Insight into the Local Structure of Hydrous Ferric Arsenate Using Full-Potential Multiple Scattering Analysis, Density Functional Theory Calculations, and Vibrational Spectroscopy

Author(s): Guoqing Zhang; Keisuke Hatada; Shaofeng Wang; Jia Yongfeng; Xu Ma
Published in: HAL CCSD ISSN: 0013-936X 2016
Permanent ID: Digital Object Identifier:10.1021/acs.est.6b02703

Induced work function changes at Mg-doped MgO/Ag(001) interfaces: Combined Auger electron diffraction and density functional study

Author(s): Philipp Aebi; Sylvain Tricot; Guy Jézéquel; Gabriel Delhaye; Philippe Schieffer; Bruno Lépine; Thomas Jaouen; Didier Sébilleau
Permanent ID: Digital Object Identifier:10.1103/physrevb.90.125433; arXiv:1411.6905