8–13 Jun 2025
America/Winnipeg timezone
Welcome to the 2025 CAP Congress Program website! / Bienvenue au siteweb du programme du Congrès de l'ACP 2025!

(POS-21) Unraveling \(e_g\) Orbital Splitting in TiO$_2$: The Role of Local Distortion in Ligand Field Multiplet Theory

10 Jun 2025, 18:20
2m
Poster Competition (Graduate Student) / Compétition affiches (Étudiant(e) 2e ou 3e cycle) Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM) DCMMP Poster Session & Student Poster Competition | Session d'affiches DPMCM et concours d'affiches étudiantes (13)

Speaker

Peter Ufondu (University of Saskatchewan)

Description

Transition metals (TM) are d-block elements with partially or completely filled d-orbitals. They display unique and complex behaviors, including variable oxidation states, strong electron correlations, and intricate crystal field effects. Transition metal compounds are technologically and fundamentally important and exhibit a number of interesting effects that can be exploited in applications. Our techniques are ideally suited to studying these effects by probing the electronic structure (for example, crystal field and multiplet effects) in detail.
This presentation provides a comprehensive study of two titanium oxide (TiO$_2$) polymorphs, anatase and rutile. We utilize advanced spectroscopic techniques, including X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS), along with ligand field multiplet theory (LFMT).
Our measurements are compared with theoretical insights. By examining the relationship between $L_3$-edge spiting and the distortion parameters $D_s$ and $D_t$, we show that the splitting of the e$_g$ orbitals is strongly influenced by distortions in local symmetry.

Keyword-1 X-ray Spectroscopy
Keyword-2 Ligand field multiplet theory
Keyword-3 Titanium Oxide

Author

Peter Ufondu (University of Saskatchewan)

Co-authors

Alexander Moewes (University of Saskatchewan) Teak Boyko (Canadian Light Source)

Presentation materials

There are no materials yet.