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High-pressure characterization of the optical and electronic properties of InVO4, InNbO4, and InTaO4
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0001-6930-8415
Universidad de Valencia, Valencia, Spain.
Bhabha Atomic Research Centre, Mumbai, India. Homi Bhabha National Institute, Mumbai, India.
Universidad de La Laguna, La Laguna, Spain.
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2019 (English)In: SN Applied Sciences, ISSN 2523-3963, Vol. 1, no 5, article id 389Article in journal (Refereed) Published
Abstract [en]

We have studied the electronic properties at ambient pressure and under high pressure of InVO4, InNbO4, and InTaO4 powders, three candidate materials for hydrogen production by means of photocatalytic water splitting using solar energy. A combination of optical absorption and resistivity measurements and band structure calculations have allowed us to determine that these materials are wide band-gap semiconductors with a band-gap energy of 3.62(5), 3.63(5), and 3.79(5) eV for InVO4, InNbO4, and InTaO4, respectively. The last two compounds are indirect band-gap materials, and InVO4 is a direct band-gap material. The pressure dependence of the band-gap energy and the electrical resistivity have been determined too. In the three compounds, the band gap opens under compression until reaching a critical pressure, where a phase transition occurs. The structural transition triggers a band-gap collapse larger than 1.2 eV in the three materials, being the abrupt decrease in the band-gap energy related to an increase in the pentavalent cation coordination number. The phase transitions also cause changes in the electrical resistivity, which can be correlated with changes induced by pressure in the band structure. An explanation to the reported results is provided based upon ab initio calculations. The conclusions attained are of significance for technological applications of the studied oxides.

Place, publisher, year, edition, pages
Springer, 2019. Vol. 1, no 5, article id 389
Keywords [en]
Wolframite, Band gap, optical properties, High pressure, Phase transition, Electronic properties
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Other Physics Topics
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Experimental Physics
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URN: urn:nbn:se:ltu:diva-73617DOI: 10.1007/s42452-019-0406-7ISI: 000473581300007OAI: oai:DiVA.org:ltu-73617DiVA, id: diva2:1304393
Note

Validerad;2019;Nivå 2;2019-08-16 (johcin)

Available from: 2019-04-12 Created: 2019-04-12 Last updated: 2019-08-16Bibliographically approved

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Botella, PabloVomiero, Alberto

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