# $3d$-electrons contribution to cohesive energy of $3d$-metals

**Authors:** L. Didukh

arXiv: 1706.06979 · 2018-04-02

## TL;DR

This paper introduces a model for the 3d-electron subsystem in transition metals, explaining the peculiarities of cohesive energy variations across different elements based on 3d-band filling, bandwidth, and intra-atomic interactions.

## Contribution

The paper proposes a new model that accurately describes the cohesive energy dependence on 3d-band filling in transition metals, clarifying the nature of observed parabolic dependencies.

## Key findings

- Model explains cohesive energy variations across 3d metals.
- Calculated cohesive energies closely match experimental data.
- Clarifies the parabolic dependence of cohesive energy on 3d-band filling.

## Abstract

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.

## Full text

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## Figures

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## References

26 references — full list in the complete paper: https://tomesphere.com/paper/1706.06979/full.md

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Source: https://tomesphere.com/paper/1706.06979