First-Principles Calculations for the H Center in SrF2 Crystals-Reference-Cited by-同舟云学术

First-Principles Calculations for the H Center in SrF2 Crystals

Published:2010-07-23 Issue:32 Volume:114 Page:8444-8449
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Yue L.¹,Jia R.¹,Shi H.¹,He X.¹,Eglitis R. I.¹

Affiliation:

1. Fachbereich Physik, Universität Osnabrück, D-49069 Osnabrück, Germany, Department of Mathematics and Natural Sciences, Bergische Universität Wuppertal, D-42097 Wuppertal, Germany, School of Science, Beijing Institute of Technology, 100081 Beijing, People’s Republic of China, and Institute of Solid State Physics, University of Latvia, 8 Kengaraga Str., Riga LV1067, Latvia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp104437n

Reference37 articles.

1. Far-Ultraviolet Reflectance Spectra and the Electronic Structure of Ionic Crystals

2. Lattice-dynamical and ground-state properties ofCaF2studied by inelastic neutron scattering and density-functional methods

3. A computational study of the surface structure and reactivity of calcium fluoride

4. Density functional theory calculations of adsorption of water at calcium oxide and calcium fluoride surfaces

5. Electronic structure of fluorite-type compounds and mixed crystals

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