Pressure-induced structures of Si-doped HfO2

Fancher, Chris M.; Zhao, Lili; Nelson, Matthew; Bai, Ligang; Shen, Guoyin; Jones, Jacob L.

doi:10.1063/1.4922717

Title: Pressure-induced structures of Si-doped HfO₂

Journal Article · Thu Jun 18 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4922717· OSTI ID:1186933

^[1]; Zhao, Lili ^[2]; Nelson, Matthew ^[1]; Bai, Ligang ^[3]; Shen, Guoyin ^[3]; Jones, Jacob L. ^[1]

North Carolina State Univ., Raleigh, NC (United States)
North Carolina State Univ., Raleigh, NC (United States); Northwest Univ., Xi’an (China)
Carnegie Inst. of Washington, Argonne, IL (United States). HPCAT, Geophysical Lab.

In this work, the effect of hydrostatic pressure on the structure of Si-doped HfO₂ (Si:HfO₂) was studied by using a diamond anvil cell in combination with high-energy X-ray diffraction at a synchrotron source. Diffraction data were measured in situ during compression up to pressures of 31 GPa. Si:HfO₂ with 3, 5, and 9 at.% Si were found to undergo a monoclinic to orthorhombic transition at pressures between 7 and 15 GPa. Whole pattern analysis was carried out using nonpolar (Pbca) and polar (Pca2₁) crystallographic models to investigate the symmetry of the observed high-pressure orthorhombic phase. Rietveld refinement results cannot discriminate a reliable difference between the Pbca and Pca2₁ structures as they nearly equally model the measured diffraction data. The pressure dependent lattice parameters, relative volume, and spontaneous strain are reported.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: NA0001974; FG02-99ER45775; AC02-06CH11357

OSTI ID:: 1186933

Alternate ID(s):: OSTI ID: 1228275

Journal Information:: Journal of Applied Physics, Vol. 117, Issue 23; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 7 works

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Stability of monoclinic phase in pure and Gd-doped HfO2: a hyperfine interaction study Banerjee, Debashis; Dey, Chandi Charan; Raja, Sk. Wasim Hyperfine Interactions, Vol. 240, Issue 1 https://doi.org/10.1007/s10751-019-1614-7	journal	July 2019
Stabilization of metastable phases in hafnia owing to surface energy effects Batra, Rohit; Tran, Huan Doan; Ramprasad, Rampi Applied Physics Letters, Vol. 108, Issue 17 https://doi.org/10.1063/1.4947490	journal	April 2016
Structure of HfO ₂ modified with Y, Gd, and Zr at ambient conditions and high pressures Johnson, Brienne; Fancher, Chris M.; Hou, Dong Journal of Applied Physics, Vol. 126, Issue 20 https://doi.org/10.1063/1.5121024	journal	November 2019

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