$3d$-electrons contribution to cohesive energy of $3d$-metals
Strongly Correlated Electrons
2018-04-02 v2
Abstract
In this paper a model for -subsystem of transition -metals has been proposed and used for calculation of the cohesive energy dependent on -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 -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.
Keywords
Cite
@article{arxiv.1706.06979,
title = {$3d$-electrons contribution to cohesive energy of $3d$-metals},
author = {L. Didukh},
journal= {arXiv preprint arXiv:1706.06979},
year = {2018}
}
Comments
7 pages, 2 figures, 2 tables