Please use this identifier to cite or link to this item: https://une.intersearch.com.au/unejspui/handle/1959.11/1676
Title: Phase Measurement for Accurate Mapping of Chemical Bonds in Acentric Space Groups
Contributor(s): Spackman, MA (author); Jiang, B (author); Groy, TL (author); He, H (author); Whitten, Andrew (author); Spence, JCH (author)
Publication Date: 2005
DOI: 10.1103/PhysRevLett.95.085502
Handle Link: https://hdl.handle.net/1959.11/1676
Abstract: Although the electron density is fundamental to the study of chemical bonding and density-functional theory, it cannot be accurately mapped experimentally for the important class of crystals lacking inversion symmetry, since structure factor phase information is normally inaccessible. We report the combination of x-ray and electron diffraction experiments for the determination of the electron density in acentric AlN, using multiple-scattering effects in convergent-beam electron diffraction to obtain sensitivity to structure factor phases, and describe a new error metric and weighting scheme for multipole refinement using combined measurements of structure factor magnitudes and phases.
Publication Type: Journal Article
Source of Publication: Physical Review Letters, 95(8), p. 085502-1-085502-4
Publisher: American Physical Society
Place of Publication: College Park, United States
ISSN: 1092-0145
0031-9007
1079-7114
Field of Research (FOR): 020404 Electronic and Magnetic Properties of Condensed Matter; Superconductivity
Peer Reviewed: Yes
HERDC Category Description: C1 Refereed Article in a Scholarly Journal
Statistics to Oct 2018: Visitors: 277
Views: 277
Downloads: 0
Appears in Collections:Journal Article

Files in This Item:
3 files
File Description SizeFormat 
Show full item record

SCOPUSTM   
Citations

5
checked on Nov 30, 2018

Page view(s)

48
checked on Mar 4, 2019
Google Media

Google ScholarTM

Check

Altmetric

SCOPUSTM   
Citations

 

Items in Research UNE are protected by copyright, with all rights reserved, unless otherwise indicated.