High-pressure characterization of multifunctional CrVO4
| Autor: | Botella, P., López-Moreno, S., Errandonea, D., Manjón, Francisco-Javier, Sans-Tresserras, Juan Ángel, Vie, D., Vomiero, A. |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
type
optical absorption Condensed Matter - Materials Science high-pressure CrVO Other Physics Topics High-pressure Optical absorption Settore ING-IND/22 - Scienza e Tecnologia dei Materiali Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Annan fysik CrVO4-type X-ray diffraction x-ray diffraction Ramanspectroscopy phase transition FISICA APLICADA Raman spectroscopy 4 Phase transition |
| Zdroj: | RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia instname |
| Popis: | [EN] The structural stability and physical properties of CrVO(4)under compression were studied by x-ray diffraction, Raman spectroscopy, optical absorption, resistivity measurements, andab initiocalculations up to 10 GPa. High-pressure x-ray diffraction and Raman measurements show that CrVO(4)undergoes a phase transition from the ambient pressure orthorhombic CrVO4-type structure (Cmcm space group, phase III) to the high-pressure monoclinic CrVO4-V phase, which is proposed to be isomorphic to the wolframite structure. Such a phase transition (CrVO4-type -> wolframite), driven by pressure, also was previously observed in indium vanadate. The crystal structure of both phases and the pressure dependence in unit-cell parameters, Raman-active modes, resistivity, and electronic band gap, are reported. Vanadium atoms are sixth-fold coordinated in the wolframite phase, which is related to the collapse in the volume at the phase transition. Besides, we also observed drastic changes in the phonon spectrum, a drop of the band-gap, and a sharp decrease of resistivity. All the observed phenomena are explained with the help of first-principles calculations. This work was supported by the Spanish Ministry of Science, Innovation and Universities under Grants MAT2016-75586-C4-1/2-P, FIS2017-83295-P and RED2018-102612-T (MALTA Consolider-Team network) and by Generalitat Valenciana under Grant Prometeo/2018/123 (EFIMAT). PB and AV acknowledge the Kempe Foundation and the Knut och Alice Wallenberg Foundation for their financial support. JAS also acknowledges Ramon y Cajal program for funding support through RYC-2015-17482. The x-ray diffraction measurements were carried out with the support of the Diamond Light Source at the I15 beamline under proposal no. 683. The authors thank A Kleppe for technical support during the experiments. SL-M thanks CONACYT of Mexico for financial support through the program 'Catedras para jovenes Investigadores'. Also, SL-M gratefully acknowledges the computing time granted by LANCAD and CONACYT on the supercomputer Miztli at LSVP DGTIC UNAM. Besides, some of the computing for this project was performed with the resources of the IPICYT Supercomputing National Center for Education & Research, Grant TKII-R2020-SLM1. |
| Databáze: | OpenAIRE |
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