Volume 129, Issue 10 pp. 2648-2651
Zuschrift

Ferromagnetic Interactions in Highly Stable, Partially Reduced TiO2: The S=2 State in Anatase

Prof. Mario Chiesa

Corresponding Author

Prof. Mario Chiesa

Dipartimento di Chimica, Università degli Studi di Torino, Via Giuria 7, 10125 Torino, Italy

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Dr. Stefano Livraghi

Dr. Stefano Livraghi

Dipartimento di Chimica, Università degli Studi di Torino, Via Giuria 7, 10125 Torino, Italy

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Prof. Elio Giamello

Prof. Elio Giamello

Dipartimento di Chimica, Università degli Studi di Torino, Via Giuria 7, 10125 Torino, Italy

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Dr. Elisa Albanese

Dr. Elisa Albanese

Dipartimento di Scienza dei Materiali, Università di Milano Bicocca, Via Cozzi 55, Milano, Italy

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Prof. Gianfranco Pacchioni

Prof. Gianfranco Pacchioni

Dipartimento di Scienza dei Materiali, Università di Milano Bicocca, Via Cozzi 55, Milano, Italy

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First published: 27 January 2017
Citations: 5

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.

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