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Pressure tuning of octahedral tilt in the ordered double perovskite Pb2CoTeO6
Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Mineralogy Petrology and Tectonics.ORCID iD: 0000-0002-7749-0402
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Physics. Karpovs Inst Phys Chem, Dept Inorgan Mat, Moscow 105046, Russia.ORCID iD: 0000-0002-7177-8464
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Physics.ORCID iD: 0000-0002-5261-2047
Vienna Univ Technol, Inst Chem Technol & Analyt, A-1060 Vienna, Austria.
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2019 (English)In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 801, p. 310-317Article in journal (Refereed) Published
Abstract [en]

Double perovskites represent a family of materials with promising fundamental properties (e.g. multiferroicity) and vast potential applications. However, the knowledge of pressure effects on the crystal structure of double perovskite is limited, which hinders their efficient synthesis using high-pressure techniques. Pb2CoTeO6 (PCTO) is considered as a good candidate for multiferroic materials, although a polymorph with a polar structure has not been synthesized yet. In the present study, the pressure effect on the crystal structure of PCTO was systematically studied by employing in situ synchrotron X-ray powder diffraction and Raman scattering techniques up to 60 GPa. A structural phase transition from R-3 to I2/m structure was observed at around 20 GPa, indicating that increasing the pressure has a similar effect on PCTO as decreasing the temperature, i.e., promoting the distortion of the structure. No polar structure of PCTO has been observed in the applied pressure range. The present study provides a valuable information about the crystal structure evolution of double perovskites upon compression, and will benefit high-pressure syntheses of novel double perovskites in the future. 

Place, publisher, year, edition, pages
ELSEVIER SCIENCE SA , 2019. Vol. 801, p. 310-317
Keywords [en]
Double perovskite, Phase transition, High pressure, Raman spectroscopy, X-ray powder diffraction
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-390373DOI: 10.1016/j.jallcom.2019.06.096ISI: 000474352000039OAI: oai:DiVA.org:uu-390373DiVA, id: diva2:1341807
Funder
Swedish Research CouncilAvailable from: 2019-08-12 Created: 2019-08-12 Last updated: 2019-11-25Bibliographically approved
In thesis
1. Synthesis and Tuning of Multifunctional Materials at High Pressure
Open this publication in new window or tab >>Synthesis and Tuning of Multifunctional Materials at High Pressure
2020 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

At the present stage, human society is developing at an unprecedented speed, facing an emergence of highly pressing challenges, e.g., information explosion, energy production problems, environmental pollution, climate problems. Functional materials with tailored properties are considered as holding a key to solving these problems. In this thesis, high-pressure techniques were employed to synthesize and tune the properties of multiferroic materials relevant to spintronic and light-harvesting applications, and multifunctional high-entropy alloys.

Melanostibite (Mn2FeSbO6, MFSO) is a very rare mineral discovered in Sweden. Previous studies indicate it is a potential multiferroic material with foreseen applications in information storage and spintronic devices. However, its multiferroic phase has not been synthesized yet. Herein, the structural evolution of MFSO was studied up to ~50 GPa, and the LiNbO3-type MFSO was synthesized at high pressure and moderate temperature. As a polar structure material, the LiNbO3-type MFSO represents a promising candidate for multiferroic materials. The double perovskite, Pb2CoTeO6, was also compressed to ~60 GPa, while no polar phase was discovered. The obtained results provide guidance to the synthesis of new multiferroic double perovskite.

Solar energy is a promising alternative to fossil fuels and thus a viable solution to the global energy problem. Light-harvesting materials, which absorb sunlight and transform it into electricity by the photovoltaic effect, represent the core part of solar cells. Currently, the dominant commercial light-harvesting material is silicon. However, silicon and recently emerged organic-inorganic perovskites have several drawbacks. Multiferroic oxides are considered as stable and nontoxic light-harvesting materials. But, their bandgap energies are generally too large for photovoltaic applications. Herein, high-pressure technique was applied to treat Mn3TeO6, and a quenchable phase of Mn3TeO6 displaying a greatly narrowed bandgap was synthesized. The measured absorption spectrum of the quenched phase reveals that it may be suitable for photovoltaic applications. The present research opens a green way to tune the bandgap energy of multiferroic.

High-entropy alloys (HEAs) were first synthesized in 2004. However, knowledge of this new class of promising alloys is still very limited, even in very fundamental aspects. The present results reveal that lattice distortion plays important roles in the phase transition of HEAs, and demonstrate the future possibility of designing the Invar high-entropy alloy, a promising structural material. The results show that it is possible to combine several practical properties in a single alloy, which will widen the range of applications of HEAs. 

The presented research demonstrates that high-pressure represents an effective way to tune various properties of materials, as well as can be applied for the synthesis of materials with exotic properties which are usually not stable or attainable at ambient conditions.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2020. p. 71
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1883
Keywords
double perovskite, multiferroic, bandgap engineering, high-entropy alloy, high pressure
National Category
Geosciences, Multidisciplinary
Research subject
Earth Science with specialization in Mineral Chemistry, Petrology and Tectonics
Identifiers
urn:nbn:se:uu:diva-397718 (URN)978-91-513-0825-8 (ISBN)
Public defence
2020-01-28, Axel Hambergsalen, Geocentrum, Villavägen 16, Uppsala, 10:00 (English)
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Available from: 2019-12-19 Created: 2019-11-25 Last updated: 2020-01-14

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Liu, LeiIvanov, SergeyMathieu, RolandLazor, Peter

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