Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT-Reference-Cited by-同舟云学术

Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT

Published:2015-09-21 Issue:11 Volume:143 Page:111103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Gerosa Matteo¹,Di Valentin Cristiana²,Bottani Carlo Enrico¹³^ORCID,Onida Giovanni⁴^ORCID,Pacchioni Gianfranco²

Affiliation:

1. Department of Energy, Politecnico di Milano, via Ponzio 34/3, 20133 Milano, Italy

2. Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via R. Cozzi 55, 20125 Milan, Italy

3. Center for Nano Science and Technology @Polimi, Istituto Italiano di Tecnologia, via Pascoli 70/3, 20133 Milano, Italy

4. Dipartimento di Fisica dell’ Universita’ degli Studi di Milano and European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milan, Italy

Funder

European Cooperation in Science and Technology (COST)

Ministero dell'Istruzione, dell'Università e della Ricerca (MIUR)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4931405

Reference49 articles.

1. Paramagnetic Resonance in Neutron-Irradiated Diamond and Smoky Quartz

2. The structure of the colour centres in smoky quartz

3. Oxygen-17 hyperfine structure of trapped-hole center [AlO4]0 in α-quartz

4. The magnetic properties of the oxygen–hole aluminum centers in crystalline SiO2. I. [AlO4]0

5. Motional effects in the trapped-hole center in smoky quartz

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