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A new spd tight-binding model of magnetism in transition metals
We present the extension of an efficient spd tight-binding model to the case of spin polarized materials by including electron–electron interactions, in an extended Hubbard–Hartree–Fock formalism. It is applied with success to rhodium and palladium clusters and slabs.
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| Published in: | Computational materials science 2000-06, Vol.17 (2-4), p.211-216 |
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| Main Authors: | , , , , |
| Format: | Article |
| Language: | English |
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| cites | cdi_FETCH-LOGICAL-c318t-a340d8a78d5730e26faa9a7a66d3c5548b89c9f3765affb02de85eaeb25108bb3 |
| container_end_page | 216 |
| container_issue | 2-4 |
| container_start_page | 211 |
| container_title | Computational materials science |
| container_volume | 17 |
| creator | Barreteau, C Guirado-López, R Desjonquères, M.C Spanjaard, D Oleś, A.M |
| description | We present the extension of an efficient spd tight-binding model to the case of spin polarized materials by including electron–electron interactions, in an extended Hubbard–Hartree–Fock formalism. It is applied with success to rhodium and palladium clusters and slabs. |
| doi_str_mv | 10.1016/S0927-0256(00)00026-4 |
| format | article |
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| fulltext | fulltext |
| identifier | ISSN: 0927-0256 |
| ispartof | Computational materials science, 2000-06, Vol.17 (2-4), p.211-216 |
| issn | 0927-0256 1879-0801 |
| language | eng |
| recordid | cdi_hal_primary_oai_HAL_hal_04897793v1 |
| source | ScienceDirect Freedom Collection |
| subjects | Band and itinerant models Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron–electron interactions Exact sciences and technology Fine-particle systems General theory and models of magnetic ordering Magnetic properties and materials Physics Semi-empirical models Small particles and nanoscale materials Studies of specific magnetic materials Surface and cluster magnetism Transition metals |
| title | A new spd tight-binding model of magnetism in transition metals |
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