Journal Article PUBDB-2021-01432

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Structural characteristics of HfO$_{2}$ under extreme conditions

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2020
Elsevier New York, NY [u.a.]

Materials chemistry and physics 255, 123633 () [10.1016/j.matchemphys.2020.123633]
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Abstract: Pressure induced structural change of HfO$_{2}$ was extensively studied up to 10 GPa with diffraction technique using synchrotron X-ray radiation. The experiment drew attention as ambiguities still exist over the monoclinic to orthorhombic evolution of HfO$_{2}$ at high pressure condition. Rietveld refinement of the diffraction patterns leads to determination of the detailed structure of HfO$_{2}$ at different pressures. The space group of its first orthorhombic phase is confirmed. Density functional calculations were carried out to understand the pressure induced phase transition. High temperature study of this material was also performed up to 1373 K (1100 $^0$C) using synchrotron X-ray source for studying suitability of the material in high temperature applications and precise thermal expansion coefficients are reported.

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Contributing Institute(s):
  1. Experimentebetreuung PETRA III (FS-PET-D)
Research Program(s):
  1. 6211 - Extreme States of Matter: From Cold Ions to Hot Plasmas (POF3-621) (POF3-621)
Experiment(s):
  1. Measurement at external facility

Appears in the scientific report 2020
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 Record created 2021-03-17, last modified 2025-07-16


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