Titanium metal at high pressure : Synchrotron experiments and ab initio calculations

作者: Rajeev Ahuja , Leonid Dubrovinsky , Natalia Dubrovinskaia , J. M. Osorio Guillen , Maurizio Mattesini

DOI: 10.1103/PHYSREVB.69.184102

关键词:

摘要: The high pressure behavior of titanium metal is investigated experimentally using angle dispersive synchrotron x-ray diffraction as well theoretically ab initio electronic structure methods. Our calculations predict a direct \ensuremath{\omega} to bcc transformation around 80 GPa without any intermediate crystal phases. ${\ensuremath{\beta}}^{\ensuremath{'}}$ (bcc-structure) Ti phase was observed coexist with the at pressures between 40 and on compression ambient temperature. High-temperature treatment results in formation new \ensuremath{\eta} monoclinically distorted structure. On decompression transforms pure phase.

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