Skip to Main content Skip to Navigation
Conference papers

Joint Refinement of Charge and Spin Densities

Abstract : 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.
Document type :
Conference papers
Complete list of metadata

Cited literature [10 references]  Display  Hide  Download

https://hal.univ-lorraine.fr/hal-01522044
Contributor : Crm2 Ul Connect in order to contact the contributor
Submitted on : Friday, May 12, 2017 - 4:50:38 PM
Last modification on : Friday, October 29, 2021 - 12:22:02 PM
Long-term archiving on: : Sunday, August 13, 2017 - 12:53:44 PM

File

1-s2.0-S1875389213002083-main....
Publisher files allowed on an open archive

Identifiers

Collections

Citation

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⟩

Share

Metrics

Record views

194

Files downloads

281