تقرير
PrVO$_4$ under High Pressure: Effects on Structural, Optical and Electrical Properties
| العنوان: | PrVO$_4$ under High Pressure: Effects on Structural, Optical and Electrical Properties |
|---|---|
| المؤلفون: | Bandiello, Enrico, Popescu, Catalin, da Silva, Estelina Lora, Sans, Juan Ángel, Errandonea, Daniel, Bettinelli, Marco |
| سنة النشر: | 2020 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Condensed Matter - Other Condensed Matter |
| الوصف: | In pursue of a systematic characterization of rare-earth vanadates under compression, in this work we present a multifaceted study of the phase behavior of zircon-type orthovanadate PrVO$_4$ under high pressure conditions, up until 24 GPa. We have found that PrVO$_4$ undergoes a zircon to monazite transition at around 6 GPa, confirming previous results found by Raman experiments. A second transition takes place above 14 GPa, to a BaWO$_4$-I--type structure. The zircon to monazite structural sequence is an irreversible first-order transition, accompanied by a volume collapse of about 9.6%. Monazite phase is thus a metastable polymorph of PrVO$_4$. The monazite-BaWO$_4$-II transition is found to be reversible instead and occurs with a similar volume change. Here we report and discuss the axial and bulk compressibility of all phases. We also compare our results with those for other rare-earth orthovanadates. Finally, by means of optical-absorption experiments and resistivity measurements we determined the effect of pressure on the electronic properties of PrVO$_4$. We found that the zircon-monazite transition produces a collapse of the band gap and an abrupt decrease of the resistivity. The physical reasons for this behavior are discussed. Density-functional-theory simulations support our conclusions. Comment: 34 pages,19 Figures (Including Supporting Information). Supporting Information. Submitted to Inorganic Chemistry |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1021/acs.inorgchem.0c02933 |
| URL الوصول: | http://arxiv.org/abs/2006.01299 |
| رقم الأكسشن: | edsarx.2006.01299 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1021/acs.inorgchem.0c02933 |
|---|