High‐pressure phase transitions and properties of MTO<sub>4</sub> compounds with the monazite‐type structure

Errandonea, Daniel

doi:10.1002/pssb.201700016

Cited by 25 publications

(30 citation statements)

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“…Beyond 19.5 GPa, a drastic color change occurs in the sample as the result of a sharp band gap reduction to ∼3.5 eV [14]. The changes are triggered by the onset of the structural phase The same arguments used to explain the HP behavior of the band-gap in wolframites are useful for understanding the related scheelite-type and monazite-type oxides [45]. An example of it are scheelite-type CaMoO 4 (CaWO 4 ) and PbMoO 4 (PbWO 4 ) [46,47].…”

Section: Electronic Structure and Band Gapmentioning

confidence: 94%

“…The same behavior in MnWO4 has been reported for triclinic wolframite-related CuWO4 [35] and can be predicted for CoWO4, FeWO4, and NiWO4. The same arguments used to explain the HP behavior of the band-gap in wolframites are useful for understanding the related scheelite-type and monazite-type oxides [45]. An example of it are scheelite-type CaMoO4 (CaWO4) and PbMoO4 (PbWO4) [46,47].…”

Section: Electronic Structure and Band Gapmentioning

confidence: 99%

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A Brief Review of the Effects of Pressure on Wolframite-Type Oxides

Errandonea

Ruiz‐Fuertes

2018

Crystals

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Abstract:In this article, we review the advances that have been made on the understanding of the high-pressure (HP) structural, vibrational, and electronic properties of wolframite-type oxides since the first works in the early 1990s. Mainly tungstates, which are the best known wolframites, but also tantalates and niobates, with an isomorphic ambient-pressure wolframite structure, have been included in this review. Apart from estimating the bulk moduli of all known wolframites, the cation-oxygen bond distances and their change with pressure have been correlated with their compressibility. The composition variations of all wolframites have been employed to understand their different structural phase transitions to post-wolframite structures as a response to high pressure. The number of Raman modes and the changes in the band-gap energy have also been analyzed in the basis of these compositional differences. The reviewed results are relevant for both fundamental science and for the development of wolframites as scintillating detectors. The possible next research avenues of wolframites under compression have also been evaluated.

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Section: Electronic Structure and Band Gapmentioning

confidence: 94%

Section: Electronic Structure and Band Gapmentioning

confidence: 99%

A Brief Review of the Effects of Pressure on Wolframite-Type Oxides

Errandonea

Ruiz‐Fuertes

2018

Crystals

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“…Several HP phase transitions have been reported in monazites [89]. In lanthanide phosphates, the monazite structure is stable up to 30 GPa [153,197].…”

Section: Common Trends Of Pressure-induced Phase Transitionsmentioning

confidence: 98%

Recent progress on the characterization of the high-pressure behaviour of AVO4 orthovanadates

Errandonea

Garg

2018

Progress in Materials Science

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AVO4 orthovanadates are materials of fundamental and technological importance due to the large variety of functional properties exhibited by them. These materials have potential applications such as scintillators, thermophosphors, photocatalysts, and cathodoluminescence materials among others. They are also used as laser-host crystals.Studies at high pressures and temperatures are helpful for understanding the physical properties of the solid state, in particular, the phase behaviour of AVO4 materials. For instance, they have contributed to the understanding of the macroscopic properties of orthovanadates in terms of microscopic mechanisms. A great progress has been made in the last decade towards the study of the pressure-effects on the structural, vibrational, and electronic properties of AVO4 compounds. Thanks to the combination of experimental and theoretical studies, novel metastable structures with interesting * Corresponding author, Email: daniel.errandonea@uv.es, Fax: (34) 96 3543146, Tel.: (34) 96 354 4475 physical properties have been discovered and the high-pressure structural sequence followed by AVO4 oxides has been understood. In this article, we will review highpressure studies carried out on the phase behaviour of different AVO4 compounds. The studied materials include rare-earth orthovanadates and other compounds; for example, BiVO4, FeVO4, CrVO4, and InVO4. In particular, we will focus on discussing the results obtained by different research groups, who have extensively studied orthovanadates up to pressures exceeding 50 GPa. We will make a systematic presentation and discussion of the different results reported in the literature. In addition, with the aim of contributing to the improvement of the actual understanding of the high-pressure properties of ternary oxides, the high-pressure behaviour of orhovanadates will be compared with related compounds; including phosphates, chromates, and arsenates. The behaviour of nanomaterials under compression will also be briefly described and compared with their bulk counterpart. Finally, the implications of the reported studies on technological developments and geophysics will be commented and possible directions for the future studies will be proposed.

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“…Due to their numerous potential applications, the orthophosphate family has attracted a lot of interest in the last decades. The study of the mechanical properties of these materials can be relevant, since some orthophosphates have shown to be promising materials for oxidation-resistant ceramic toughening [2] and to have interesting luminescent and optical properties with a wide range of potential applications [3][4][5][6].…”

Section: Introductionmentioning

confidence: 99%

High-Pressure Elastic, Vibrational and Structural Study of Monazite-Type GdPO4 from Ab Initio Simulations

Múñoz

Rodríguez‐Hernández

2018

Crystals

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The GdPO 4 monazite-type has been studied under high pressure by first principles calculations in the framework of density functional theory. This study focuses on the structural, dynamical, and elastic properties of this material. Information about the structure and its evolution under pressure, the equation of state, and its compressibility are reported. The evolution of the Raman and Infrared frequencies, as well as their pressure coefficients are also presented. Finally, the study of the elastic constants provides information related with the elastic and mechanical properties of this compound. From our results, we conclude that monazite-type GdPO 4 becomes mechanically unstable at 54 GPa; no evidence of soft phonons has been found up to this pressure at the zone center.

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High‐pressure phase transitions and properties of MTO₄ compounds with the monazite‐type structure

Cited by 25 publications

References 67 publications

A Brief Review of the Effects of Pressure on Wolframite-Type Oxides

A Brief Review of the Effects of Pressure on Wolframite-Type Oxides

Recent progress on the characterization of the high-pressure behaviour of AVO4 orthovanadates

High-Pressure Elastic, Vibrational and Structural Study of Monazite-Type GdPO4 from Ab Initio Simulations

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High‐pressure phase transitions and properties of MTO4 compounds with the monazite‐type structure

Cited by 25 publications

References 67 publications

A Brief Review of the Effects of Pressure on Wolframite-Type Oxides

A Brief Review of the Effects of Pressure on Wolframite-Type Oxides

Recent progress on the characterization of the high-pressure behaviour of AVO4 orthovanadates

High-Pressure Elastic, Vibrational and Structural Study of Monazite-Type GdPO4 from Ab Initio Simulations

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High‐pressure phase transitions and properties of MTO₄ compounds with the monazite‐type structure