X- (X = O, S, Se) Ions in Alkali Halide Lattices through Density Functional Calculations. 2. Interstitial Defect Models-Reference-Cited by-同舟云学术

X- (X = O, S, Se) Ions in Alkali Halide Lattices through Density Functional Calculations. 2. Interstitial Defect Models

Published:2006-04-01 Issue:16 Volume:110 Page:8213-8218
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Van Speybroeck V.¹,Stevens F.¹,Pauwels E.¹,Vrielinck H.¹,Callens F.¹,Waroquier M.¹

Affiliation:

1. Center for Molecular Modeling, Laboratory of Theoretical Physics, Ghent University, Proeftuinstraat 86, B-9000 Ghent, Belgium, and Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, B-9000 Ghent, Belgium

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp057010c

Reference38 articles.

1. Preparation of NaCl color center laser crystals and perturbation effect of ions

2. First-principles study on the energetics and vibrational properties of theS2−impurity in alkali-halide crystals

3. Vibronic Structures in Excitation and Emission Spectra Characteristics of O2-Molecular Ions in KI, KBr and KCl Crystals

4. Paramagnetic Resonance of Oxygen in Alkali Halides

5. Paramagnetic-Resonance Spectra ofS−Trapped in Alkali Halide Crystals

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