The discovery of ferroelectric properties in the doped HfO2 and mixed Hf1−xZrxO2 systems made precise phase determination very important. However, due to the similarities of the diffraction peaks between the tetragonal and the orthorhombic phases, the discrimination of these two critical phases by x-ray diffraction remains challenging. This work introduces Raman spectroscopy as a structural characterization method to unambiguously identify phases by comparing experimental data with density functional simulation results for the mixed hafnia–zirconia system in the complete composition range. Raman modes for the non-polar monoclinic and tetragonal phases are presented in comparison to those of the polar orthorhombic phase. Changes in phonon mode frequencies in the hafnia–zirconia system with Hf/Zr composition are related to the appearance of ferroelectric properties.
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Using Raman spectroscopy and x-ray diffraction for phase determination in ferroelectric mixed Hf1−xZrxO2-based layers
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7 December 2022
Research Article|
December 02 2022
Using Raman spectroscopy and x-ray diffraction for phase determination in ferroelectric mixed Hf1−xZrxO2-based layers
Uwe Schroeder
;
Uwe Schroeder
(Conceptualization, Data curation, Formal analysis, Funding acquisition, Writing – original draft, Writing – review & editing)
1
NaMLab gGmbH
, Noethnitzer Strasse 64a, 01187 Dresden, Germany
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Ridham Sachdeva
;
Ridham Sachdeva
(Formal analysis, Investigation, Writing – original draft)
1
NaMLab gGmbH
, Noethnitzer Strasse 64a, 01187 Dresden, Germany
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Patrick D. Lomenzo
;
Patrick D. Lomenzo
(Formal analysis, Investigation, Resources, Writing – review & editing)
1
NaMLab gGmbH
, Noethnitzer Strasse 64a, 01187 Dresden, Germany
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Bohan Xu
;
Bohan Xu
(Formal analysis, Investigation)
1
NaMLab gGmbH
, Noethnitzer Strasse 64a, 01187 Dresden, Germany
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Monica Materano
;
Monica Materano
(Formal analysis, Investigation)
1
NaMLab gGmbH
, Noethnitzer Strasse 64a, 01187 Dresden, Germany
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Thomas Mikolajick
;
Thomas Mikolajick
(Funding acquisition, Project administration, Writing – review & editing)
1
NaMLab gGmbH
, Noethnitzer Strasse 64a, 01187 Dresden, Germany
2
Chair of Nanoelectronic Materials, TU Dresden
, Noethnitzer Strasse 64, 01062 Dresden, Germany
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Alfred Kersch
Alfred Kersch
a)
(Funding acquisition, Resources, Software, Writing – original draft, Writing – review & editing)
3
Hochschule München
, Lothstr. 34, 80335 München, Germany
a)Author to whom correspondence should be addressed: [email protected]
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Uwe Schroeder
1
Ridham Sachdeva
1
Patrick D. Lomenzo
1
Bohan Xu
1
Monica Materano
1
Thomas Mikolajick
1,2
Alfred Kersch
3,a)
1
NaMLab gGmbH
, Noethnitzer Strasse 64a, 01187 Dresden, Germany
2
Chair of Nanoelectronic Materials, TU Dresden
, Noethnitzer Strasse 64, 01062 Dresden, Germany
3
Hochschule München
, Lothstr. 34, 80335 München, Germany
a)Author to whom correspondence should be addressed: [email protected]
J. Appl. Phys. 132, 214104 (2022)
Article history
Received:
August 10 2022
Accepted:
November 10 2022
Citation
Uwe Schroeder, Ridham Sachdeva, Patrick D. Lomenzo, Bohan Xu, Monica Materano, Thomas Mikolajick, Alfred Kersch; Using Raman spectroscopy and x-ray diffraction for phase determination in ferroelectric mixed Hf1−xZrxO2-based layers. J. Appl. Phys. 7 December 2022; 132 (21): 214104. https://doi.org/10.1063/5.0119871
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