Systematic structural study in praseodymium compressed in a neon pressure medium up to 185 GPa
نویسندگان
چکیده
Angle-dispersive x-ray powder diffraction experiments have been performed on praseodymium metal compressed in a soft pressure-transmitting medium at ambient temperature up to 185 GPa. We observe the previously reported high-pressure structural transition sequence 20 GPa and coexistence of body-centered orthorhombic (bco) Pr \ensuremath{\alpha}-U from $\ensuremath{\sim}20$ $\ensuremath{\sim}38\phantom{\rule{0.16em}{0ex}}\mathrm{GPa}$. The structure is stable GPa, no evidence proposed primitive phase $>147\phantom{\rule{0.16em}{0ex}}\mathrm{GPa}$ was observed. With density functional theory (DFT), we calculated lattice parameters $y$ coordinate for found good agreement between our calculations experimental measurements. obtained DFT energies $(P{2}_{1}{2}_{1}{2}_{1})$ \ensuremath{\alpha}-uranium phases $\ensuremath{\sim}150\phantom{\rule{0.16em}{0ex}}\mathrm{GPa}$ show that lower energy. Hence, neither data nor results support $>150\phantom{\rule{0.16em}{0ex}}\mathrm{GPa}$. suggests, however, may transform $P{2}_{1}{2}_{1}{2}_{1}$ above $\ensuremath{\sim}220\phantom{\rule{0.16em}{0ex}}\mathrm{GPa}$. also compare axial ratios structured Nd, Ce, U.
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2022
ISSN: ['1098-0121', '1550-235X', '1538-4489']
DOI: https://doi.org/10.1103/physrevb.105.144107