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Probing of the charge distribution in iron pnictides

✍ Scribed by G. Lang; H.-J. Grafe; F. Hammerath; K. Manthey; D. Paar; G. Behr; J. Werner; J. Hamann-Borrero; B. Büchner

Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
216 KB
Volume
470
Category
Article
ISSN
0921-4534

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✍ L.E. Harris; E.A. Boudreaux 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 196 KB

Semi-empirical motecular orbital calculations were performed for CrFz-and FeFi-. The method of calculation is derived from the IIF SCF equations using approximations appropriate to the highly ionic transition metal hatides. The results ot' these calculations are s@wn to be in better agreement than