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- Title
Ferromagnetic Interactions in Highly Stable, Partially Reduced TiO<sub>2</sub>: The S=2 State in Anatase.
- Authors
Chiesa, Mario; Livraghi, Stefano; Giamello, Elio; Albanese, Elisa; Pacchioni, Gianfranco
- Abstract
We report direct evidence for quintuplet spin states in a particular kind of reduced TiO2 anatase obtained by the mild oxidation of TiB2 under hydrothermal conditions. Continuous-wave and pulse EPR spectroscopy at X and Q band frequencies provide compelling evidence for the presence of S =2 states, stable in a wide range of temperatures up to room temperature. A tentative model, corroborated by spin-polarized DFT calculations, is proposed, which consists of four ferromagnetically interacting Ti3+ ions with distances ranging from 0.5 nm to 0.8 nm and tetrahedral arrangement.
- Subjects
SPECTRUM analysis; FERROMAGNETIC materials; OXIDATION; TETRAHEDRAL molecules; DIAMAGNETIC materials
- Publication
Angewandte Chemie International Edition, 2017, Vol 56, Issue 10, p2604
- ISSN
1433-7851
- Publication type
Article
- DOI
10.1002/anie.201610973