High-pressure phase transitions of deep Earth materials
نویسندگان
چکیده
منابع مشابه
Phase transitions in rare earth tellurides under pressure.
Using first-principles calculations we have studied the valence and structural transitions of the rare earth monotellurides RTe (R = Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm and Yb) under pressure. The self-interaction corrected local spin-density approximation is used to establish the ground state valence configuration as a function of volume for the RTe in both the NaCl (B1) and CsCl (B...
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We demonstrate the relativistic effects in high-pressure phase transitions of heavy element thallium. The known first phase transition from h.c.p. to f.c.c. is initially investigated by various relativistic levels and exchange-correlation functionals as implemented in FPLO method, as well as scalar relativistic scheme within PAW formalism. The electronic structure calculations are interpreted f...
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We reviewed structural phase transitions in crystalline materials, especially recent simulations and experiments on the shock-induced transitions in iron. They both confirmed a phase transition wave in the picosecond to nanosecond time scale, inferred previously from wave profile analyses. The nonequilibrium molecular dynamics simulation suggests modification of pair potentials from temperature...
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The pressure-induced 4f instability in rare earth solids is discussed with main emphasis on the pressure range above 100 kbar. The presentation focuses on three materials: (i) Results related to the valence state of Yb metal are summarized, (ii) The optical response of intermediate-valent (IV) YbS is shown to be consistent with a localized mechanism of the valence instability, which is in sharp...
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We report studies of pressure-induced phase transitions of ordered and disordered ternary tetradymite-like Bi2Te2Se by synchrotron powder X-ray diffraction (PXRD) in diamond anvil cells (DACs) for pressures up to 59 and 49 GPa, respectively. The first sample (SB) was prepared from a single crystal with ordered Se/Te sites while the second sample (Q) was prepared from a quenched melt resulting i...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2008
ISSN: 0108-7673
DOI: 10.1107/s0108767308097626