Electron and phonon spectra dynamics and features of phase transitions in sodium at P=0-100 GPa
| Autor: | Volkov, N. B., Chingina, E. A. |
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| Rok vydání: | 2016 |
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| Druh dokumentu: | Working Paper |
| DOI: | 10.1088/1742-6596/830/1/012036 |
| Popis: | Electron and phonon spectra dynamics, as well as features of structural transitions and melting of sodium under pressure within range 0 to 100 GPa are investigated. Electron and phonon spectra of crystal sodium are calculated ab initio within the density functional theory by means of the LMTART-7 software package (Savrasov-Savrasov: 1992; Savrasov: 1996; Savrasov: 2004), allowing the fully potential method of linear muffin-tin orbitals. Using the Lindemann measure and the calculated phonon spectra the theoretical values of melting points corresponding to the experimental data (Gregoryanz, et al: 2005; Gregoryanz, et al: 2008) are obtained. Features of electron and phonon spectra dynamics in the melting curve maximum vicinity and within cI2->cI4 structural transition range are discussed. Comment: 9 pages, 6 figures, contribution to the Proceedings of the International Congress on "Energy Flows and Radiation Effects", Tomsk, Russia, October 2-7, 2016 (to be published in Journal of Physics: Conference Series) |
| Databáze: | arXiv |
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