Proton disorder in cubic ice: Effect on the electronic and optical properties

Author:

Garbuio Viviana1,Cascella Michele2,Kupchak Igor3,Pulci Olivia1,Seitsonen Ari Paavo45ORCID

Affiliation:

1. MIFP, ETSF, Physics Department of Tor Vergata University, Via della Ricerca Scientifica 1, I-00133 Rome, Italy

2. Department of Chemistry and Centre for Theoretical and Computational Chemistry (CTCC), University of Oslo, Postboks 1033, Blindern, N-0315 Oslo, Norway

3. MIFP, V. Lashkarev Institute of Semiconductor Physics of National Academy of Sciences of Ukraine, pr. Nauki 45, UA-03680 Kiev, Ukraine

4. Institut für Chemie, Universität Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland

5. Département de Chimie, École Normale Supérieure, 24 rue Lhomond, F-75005 Paris, France

Funder

CoE Centre for Theoretical and Computational Chemistry

CoE Centre for Theoretical and Computational Chemistry, Norwegian Research Council

EC project IRSES SIMTECH

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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