Ferromagnetism in Transition Metals: A Chemical Bonding Approach
โ Scribed by Gregory A. Landrum; Richard Dronskowski
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 172 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0044-8249
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โฆ Synopsis
Band structure calculations from first principles provide the basis of a simple explanation for the appearance of ferromagnetism in iron, cobalt, and nickel that is founded upon a uniquely chemical concept: bonding. It is shown that the onset of ferromagnetism strengthens the metal-metal bonds in these transition metals by reducing the antibonding nearest neighbor interactions that would otherwise appear at the Fermi level.
๐ SIMILAR VOLUMES
A polyhedral hybrid approach, based on generalized valence bond theory, is proposed to treat the electronic structure and bonding in transition metal molecules. A key feature of the approach is the ubiquity of "bent bonds" formed from overlapping hybrid orbitals.
## Abstract Bond distances, vibrational frequencies, dipole moments, dissociation energies, electron affinities, and ionization potentials of MX (XM = YโCd, X = F, Cl, Br, I) molecules in neutral, positively, and negatively charged ions were studied by density functional method, B3LYP. The bonding