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 |
| Summary: | 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. |
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| ISSN: | 1607-324X 2224-9079 |