Abstract
This contribution presents some developments of the gnxas methodology and suite of programs, providing full analysis of raw experimental XAS data through advanced multiple-scattering simulations. The main features of the gnxas suite of programs, including the basic theoretical background based on an n-body expansion of the x-ray absorption cross section, as well as useful information about the gnxas flow diagram and practical usage are reviewed. The new gnxas graphical interface w-gnxas is specifically illustrated. The recent implementation of Reverse Monte Carlo algorithms allowing for multiatomic structural refinement into the rmc-gnxas package is also presented in detail with specific examples.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
A. Filipponi, A. Di Cicco, T.A. Tyson, C. Natoli, Solid State Commun. 78, 265 (1991)
A. Filipponi, A. Di Cicco, C.R. Natoli, Phys. Rev. B 52, 15122 (1995)
A. Filipponi, A. Di Cicco, Phys. Rev. B 52, 15135 (1995)
A. Filipponi, A. Di Cicco, TASK Quart. 4, 575 (2000)
A. Di Cicco (ed.), GNXAS. Extended Suite of Programs for Advanced X-ray Absorption Data-analysis: Methodology and Practice (TASK Publishing, Gdansk, Poland, 2009)
K. Hatada, F. Iesari, L. Properzi, M. Minicucci, A. Di Cicco, J. Phys. Conf. Ser. 712, 012002 (2016)
A. Di Cicco, A. Trapananti, J. Phys. Condens. Matter 17, S135 (2005)
A. Di Cicco, Phys. Rev. B 53, 6174 (1996)
A. Filipponi, A. Di Cicco, M. Benfatto, C.R. Natoli, Europhys. Lett. 13, 319 (1990)
A. Filipponi, J. Phys. Condens. Matter 6, 8415 (1994)
A. Trapananti, A. Di Cicco, Phys. Rev. B 70, 014101 (2004)
A. Di Cicco, A. Trapananti, S. Faggioni, A. Filipponi, Phys. Rev. Lett. 91, 135505 (2003)
A. Di Cicco, A. Trapananti, E. Principi, S. De Panfilis, A. Filipponi, Appl. Phys. Lett. 89, 221912 (2006)
A. Di Cicco, F. Iesari, S. De Panfilis, M. Celino, S. Giusepponi, A. Filipponi, Phys. Rev. B 89, 060102 (2014)
A. Di Cicco, M. Taglienti, M. Minicucci, A. Filipponi, Phys. Rev. B 62, 12001 (2000)
T. Williams, C. Kelley, Many others, Gnuplot 5.0: an interactive plotting program, http://gnuplot.sourceforge.net/. Accessed 30 Nov 2016
J. Clement, Topdrawer 5.12, http://www.pa.msu.edu/reference/topdrawer-docs/ (1993). Accessed 30 Nov 2016
R. Dunn, H. Pasanen, wxPython home page, http://www.wxpython.org/. Accessed 30 Nov 2016
A. Filipponi, J. Phys. Condens. Matter 13(7), R23 (2001)
R.L. McGreevy, L. Pusztai, Mol. Simul. 1, 359 (1988)
R.L. McGreevy, J. Phys. Condens. Matter 13, R877 (2001)
S.J. Gurman, R.L. McGreevy, J. Phys. Condens. Matter 2, 9463 (1990)
Y. Wang, K. Lu, C. Li, Phys. Rev. Lett. 79, 3664 (1997)
M. Winterer, J. Appl. Phys. 88, 5635 (2000)
J. Timoshenko, A. Kuzmin, J. Purans, Comput. Phys. Commun. 183(6), 1237 (2012)
G. Evrard, L. Pusztai, J. Phys.: Condens. Matter 17(5), S1 (2005)
C. Tasseven, J. Trulls, O. Alcaraz, M. Silbert, A. Giró, J. Chem. Phys. 106(17), 7286 (1997)
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2018 Springer International Publishing AG, part of Springer Nature
About this paper
Cite this paper
Iesari, F., Hatada, K., Trapananti, A., Minicucci, M., Di Cicco, A. (2018). gnxas: Advances in the Suite of Programs for Multiple-Scattering Analysis of X-ray Absorption Data. In: Sébilleau, D., Hatada, K., Ebert, H. (eds) Multiple Scattering Theory for Spectroscopies. Springer Proceedings in Physics, vol 204. Springer, Cham. https://doi.org/10.1007/978-3-319-73811-6_8
Download citation
DOI: https://doi.org/10.1007/978-3-319-73811-6_8
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-73810-9
Online ISBN: 978-3-319-73811-6
eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)