Joint Refinement of Charge and Spin Densities - Université de Lorraine Access content directly
Conference Papers Year : 2013

Joint Refinement of Charge and Spin Densities


A new charge and spin density model and the corresponding refinement software were recently developed to combine X- ray and polarized neutron diffraction experiments [1]. This joint refinement procedure allows getting access to both charge and spin densitiy distributions by refining both spin up and down parameters for magnetic atoms. The paper is focused on the refinement procedure and its application to the case of an end-to-end azido double bridged copper(II) complex. The results of this joint refinement of X-ray and polarized neutron diffraction data are presented.


Fichier principal
Vignette du fichier
1-s2.0-S1875389213002083-main.pdf (662.89 Ko) Télécharger le fichier
Origin : Publisher files allowed on an open archive

Dates and versions

hal-01522044 , version 1 (12-05-2017)



Maxime Deutsch, Nicolas Claiser, Mohamed Souhassou, Béatrice Gillon. Joint Refinement of Charge and Spin Densities. 9th International Conference on Polarised Neutrons in Condensed Matter Investigations, Jul 2012, Paris, France. pp.10 - 17, ⟨10.1016/j.phpro.2013.03.169⟩. ⟨hal-01522044⟩
87 View
108 Download



Gmail Facebook X LinkedIn More