| Abstract: | A molecular orbital description, based on spin-unrestricted X??-scattered wave calculations, is given for the electronic structures of mixed valence iron oxides and silicates. The cluster calculations show that electron hopping and optical intervalence charge-transger result from weak FeFe bonding across shared edges of FeO6 coordination polyhedra. In agreement with Zener‘s double exchange model, FeFe bonding is found to stabilize ferromagnetic coupling between Fe2+ and Fe3+ cations. ?? 1986. |
| Genre: | Article |
| ProdID: | 70015588 |
| Citation Author: | Sherman, D. M. |
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| Citation End Page: | 723 |
| Citation Issue: | 10 |
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| Citation Language: | English |
| Citation Larger Work Title: | Solid State Communications |
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| Citation Number Of Pages: | 5 |
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| Citation Search Results Text: | Cluster molecular orbital description of the electronic structures of mixed-valence iron oxides and silicates; 1986; Article; Journal; Solid State Communications; Sherman, D. M. |
| Citation Start Page: | 719 |
| Citation Volume: | 58 |
| Citation Year: | 1986 |
| Type: | citation/reference |
| Text: | Cluster molecular orbital description of the electronic structures of mixed-valence iron oxides and silicates; 1986; Article; Journal; Solid State Communications; Sherman, D. M. |
| URL (THUMBNAIL): | http://pubs.er.usgs.gov/thumbnails/outside_thumb.jpg |
| Date Other: | Wed, 1 Jan 1986 00:00 -0600 |
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