Cluster Model of Liquid or Amorphous Metal. Quantum-Statistical Theory. Amorphous Metal
O. I. Mitsek, V. M. Pushkar
G.V. Kurdyumov Institute for Metal Physics, NAS of Ukraine, 36 Academician Vernadsky Blvd., UA-03680 Kyiv-142, Ukraine
Received: 12.11.2013. Download: PDF
The quantum-statistical theory of amorphous metal (AM) is developed by an example of Fe—B. As supposed, the short-range order clusters ($K_{j}$) of high-spin (HS) Fe ions are separated by holes ($h_{ij}$) of low-spin (LS) Fe ions covalently bonded with B$^{+}$ cations. Wave-functions’ amplitudes of LS Fe ions ($\xi_{1}$) and B$^{+}$ ionic states ($\xi_{+}$) are calculated within the many-electron operator spinors (MEOS) representation, $D_{r}^{1}$ and $P_{R}$. The variation principle links values $\xi_{1}(T)$ and $\xi_{+}(T)$ decreasing with the increase of temperature $T < T_{min}$. The AM-phase destruction (crystallization at $T \rightarrow T_{min} - 0$) is caused by B$^{0}$-atoms’ entropy and high heat capacity $C_{V}(T)$ caused by it. The chemical-bond fluctuations (CBF) entropy of cations and band electrons supports the AM stability. One part of electrical resistance (ER) is created by capture mechanisms of electrical-current carriers by covalent states and CBF. It is decreasing with the $T$ increasing. Scattering on ‘impurity’ phonons gives ER part, which increases linearly with the $T$ increasing. Combination of these effects allows to obtain materials with constant ER (when T changes) for $T < T_{min}$.
Key words: clusters of high-spin Fe ions, holes of low-spin (LS) Fe ions and B$^{+}$ impurity ions, ‘impurity’ chemical-bond fluctuations (CBF) and phonons, heat capacity, electrical resistivity.
URL: http://mfint.imp.kiev.ua/en/abstract/v36/i01/0103.html
DOI: https://doi.org/10.15407/mfint.36.01.0103
PACS: 63.50.Lm, 71.10.-w, 71.23.An, 72.10.Di, 72.15.Cz, 75.30.Mb, 75.50.Kj
Citation: O. I. Mitsek and V. M. Pushkar, Cluster Model of Liquid or Amorphous Metal. Quantum-Statistical Theory. Amorphous Metal, Metallofiz. Noveishie Tekhnol., 36, No. 1: 103—125 (2014) (in Russian)