Direct overlapping effect of f orbitals for valence fluctuating materials in Kondo regime
| Autor: | A. Rakotomahevitra, J. C. Parlebas, D. Randrianasoloharisoa, H. Razafimandimby |
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| Rok vydání: | 2009 |
| Předmět: |
Physics
Condensed matter physics Linear combination of atomic orbitals Molecular orbital theory Molecular orbital Valence bond theory Astrophysics::Earth and Planetary Astrophysics Complete active space Condensed Matter Physics Slater-type orbital Basis set Electronic Optical and Magnetic Materials Natural bond orbital |
| Zdroj: | The European Physical Journal B. 68:495-500 |
| ISSN: | 1434-6036 1434-6028 |
| DOI: | 10.1140/epjb/e2009-00118-3 |
| Popis: | In Rare-Earth (RE) systems, direct overlapping of 4f orbitals plays a role if the distance between RE ions is sufficiently small. Especially, such a situation happens under pressure for RE metals and RE compounds. Furthermore, in Actinide systems, 5f orbitals are more extended than the previously considered 4f orbitals. Therefore, in this case, direct overlapping of 5f orbitals should be taken into account even without applying pressure. In the present work, using Standard Basis Operators, we study direct overlapping effect of f orbitals for valence fluctuating materials in Kondo regime. An important result within our present model is that direct f orbital overlapping reduces f electron effective mass. |
| Databáze: | OpenAIRE |
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