Phase Diagrams of Uranium and Its Compounds. I. Destabilization of Ion Shells in Metal. The Quantum Theory

O. I. Mitsek, V. M. Pushkar

G. V. Kurdyumov Institute for Metal Physics, NAS of Ukraine, 36 Academician Vernadsky Blvd., UA-03142 Kyiv, Ukraine

Received: 06.08.2018. Download: PDF

Metallic U is calculated by means of the method of many-electron operator spinors. Atomic phase diagram is accompanied by dividing of 5$f$-shell on $e_{\textrm{g}}$ (5$f^1$) and $t_{2\textrm{g}}$ (5$f^2$) subshells. Destabilization of U ion electronic structure is connected with 5$f$–6$d$ hybridization. Jumping of ‘outer’ 5$f^1$ electrons on 6$d$ level owing to excitation of chemical (covalent) bond fluctuations (CBF) with temperature $T$ growth leads to $\alpha$–$\beta$ transition ($T$ → $T_{\textrm{k1}}$). Then growth of CBF density excites 5$f^2$–6$d$ hybridization and $\beta$–$\gamma$ transition at $T$ → $T_{\textrm{k2}}$ > $T_{\textrm{k1}}$. Hysteresis of each transition is conditioned by covalent-band bonds. Transitional volume jumps $\Delta V_{1,2}$ are determined by inhomogeneity $\Gamma_{dd}(\textbf{r} – \textbf{R})$ of U ion covalent bonds in sites $\textbf{r}$ and $\textbf{R}$. Angular moment $\textbf{L}_{\textbf{r}}$ locality prevents from display magnetism of metallic U. But inclusion of U ion spin-orbital bonds with 3$d$ ions influences on magnetic hardness of alloys of U–Co type, which is observed experimentally.

Key words: chemical bond fluctuations (CBF), destabilization of the 5$f$ shell and phase transitions, Galois groups.

URL: http://mfint.imp.kiev.ua/en/abstract/v41/i03/0279.html

DOI: https://doi.org/10.15407/mfint.41.03.0279

PACS: 61.50.Ks, 71.10.-w, 71.20.Gj, 71.30.+h, 75.10.Dg, 75.30.Et, 75.30.Mb

Citation: O. I. Mitsek and V. M. Pushkar, Phase Diagrams of Uranium and Its Compounds. I. Destabilization of Ion Shells in Metal. The Quantum Theory, Metallofiz. Noveishie Tekhnol., 41, No. 3: 279—288 (2019) (in Russian)


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