Comment on Phys. Stat. Sol. (b) 236 (2003) 281 paper by A. M. Oles "Orbital ordering and orbital fluctuations in transition metal oxides"
R.J. Radwanski, Z. Ropka

TL;DR
This paper critiques a previous study on orbital states in transition metal oxides, arguing that the correct ground state is different due to additional interactions and distortions.
Contribution
It clarifies the correct ground state for certain transition metal ions, emphasizing the importance of spin-orbit interactions and lattice distortions.
Findings
The 3A2 state is incorrect for the systems considered.
The proper ground state is 3T1g, not 3A2.
Degeneracy is further split by spin-orbit and lattice effects.
Abstract
We argue that the 3A2 state considered by Oles in Phys. Stat. Sol. (b) 236 (2003) 281 for the d2 system occurring in the V3+ ion in V2O3 and LaVO3 as well as in Ti2+ ion in TiO and in many other oxides is wrong. The proper ground state is 3T1g - its 9-fold degeneracy is further split in a crystal by intra-atomic spin-orbit interactions and lattice distortions.
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Taxonomy
TopicsCatalysis and Oxidation Reactions · Inorganic Fluorides and Related Compounds · Crystal Structures and Properties
