The Fermi model in describing phase transitions initiated by pressure variation |
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Authors: | O V Naskalova A Yu Smolin E N Klimova E M Kuznetsova |
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Institution: | 1. Southern Federal University, Rostov-on-Don, 344006, Russia 2. National Nuclear Research University (MEPhI), Volgodonsk Institute of Engineering, Volgodonsk, 347360, Russia 3. Don State Technical University, Rostov-on-Don, 344010, Russia
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Abstract: | Having analyzed the pressure dependence of volume V(σ), we demonstrate that the mechanism of the phase transition in HfO2 corresponds to the Fermi model. This indicates that at σ = 10 GPa, the ground state of Hf ions changes. Within the Fermi model, the stiffness moduli in the phases stable at σ < 10 GPa and σ > 10 GPa are calculated. It is shown that the results obtained are in better agreement with the well-known experiment than the results obtained in the framework of the quantum chemistry model (ab initio calculations) and the Birch-Murnaghan equation of state. |
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