3d-electrons contribution to cohesive energy of 3d-metals
In this paper a model for 3d-subsystem of transition 3d-metals has been proposed and used for calculation of the cohesive energy dependent on 3d-band filling of particular metal, its bandwidth and effective intra-atomic interaction value. It has been shown that the model enables one to explain the o...
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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2018-03-01
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| Series: | Condensed Matter Physics |
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| Online Access: | https://doi.org/10.5488/CMP.21.13701 |
| _version_ | 1828443476907261952 |
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| author | L. Didukh |
| author_facet | L. Didukh |
| author_sort | L. Didukh |
| collection | DOAJ |
| description | In this paper a model for 3d-subsystem of transition 3d-metals has been proposed and used for calculation of the cohesive energy dependent on 3d-band filling of particular metal, its bandwidth and effective intra-atomic interaction value. It has been shown that the model enables one to explain the observed peculiarities of cohesive energy effect on the atomic number. The nature of two parabolic dependencies of cohesive energy on 3d-band filling has been clarified. The calculated values of cohesive energy are close to those experimentally obtained for Sc-Ti-V-Cr-Mn-Fe series. |
| first_indexed | 2024-12-10T21:29:34Z |
| format | Article |
| id | doaj.art-76bfb43ad46447918066511e78c0e56e |
| institution | Directory Open Access Journal |
| issn | 1607-324X 2224-9079 |
| language | English |
| last_indexed | 2024-12-10T21:29:34Z |
| publishDate | 2018-03-01 |
| publisher | Institute for Condensed Matter Physics |
| record_format | Article |
| series | Condensed Matter Physics |
| spelling | doaj.art-76bfb43ad46447918066511e78c0e56e2022-12-22T01:32:52ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2224-90792018-03-012111370110.5488/CMP.21.137013d-electrons contribution to cohesive energy of 3d-metalsL. DidukhIn this paper a model for 3d-subsystem of transition 3d-metals has been proposed and used for calculation of the cohesive energy dependent on 3d-band filling of particular metal, its bandwidth and effective intra-atomic interaction value. It has been shown that the model enables one to explain the observed peculiarities of cohesive energy effect on the atomic number. The nature of two parabolic dependencies of cohesive energy on 3d-band filling has been clarified. The calculated values of cohesive energy are close to those experimentally obtained for Sc-Ti-V-Cr-Mn-Fe series.https://doi.org/10.5488/CMP.21.13701cohesive energy3d-metalselectron correlationsenergy spectrumorbital degeneracy |
| spellingShingle | L. Didukh 3d-electrons contribution to cohesive energy of 3d-metals Condensed Matter Physics cohesive energy 3d-metals electron correlations energy spectrum orbital degeneracy |
| title | 3d-electrons contribution to cohesive energy of 3d-metals |
| title_full | 3d-electrons contribution to cohesive energy of 3d-metals |
| title_fullStr | 3d-electrons contribution to cohesive energy of 3d-metals |
| title_full_unstemmed | 3d-electrons contribution to cohesive energy of 3d-metals |
| title_short | 3d-electrons contribution to cohesive energy of 3d-metals |
| title_sort | 3d electrons contribution to cohesive energy of 3d metals |
| topic | cohesive energy 3d-metals electron correlations energy spectrum orbital degeneracy |
| url | https://doi.org/10.5488/CMP.21.13701 |
| work_keys_str_mv | AT ldidukh 3delectronscontributiontocohesiveenergyof3dmetals |