Year: 2008
Type: article
Abstract: Microsymposia coupled technique, PArallel Recording Of Dark-field Images (PARODI).It is a new breed of convergent beam electron diffraction developed at Brookhaven to accurately determine structure factors of low-order reflections that are sensitive to valence electron distribution.The synchrotron based single-crystal x-ray diffraction was used to determine the structure factors of high-order reflections that are sensitive to atomic positions and Debye-Waller factors.The two sets of experimental data were combined and refined, and then compared with DFT calculations.Examples on charge density studies including CaCu3Ti4O12 oxide that exhibits extremely high dielectric constant (~104) over a wide range of frequencies and temperatures will be given [1,2].Our recent work on electron scattering amplitudes involving non-spherical orbitals (p and d orbitals) of transition-metal elements will also be reported.We demonstrate that it is possible to accurately measure valence electron distribution, electron orbitals and bonding characteristics of complex functional materials using quantitative electron and x-ray diffraction.
Author: B.B. Iversen
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
Funder: U.S. Department of Energy
Awards: G433534989, G666034064, G7212048212
OpenAlex ID: W2325981571