High-Pressure X-ray Diffraction and DFT Studies on Spinel FeV2O4

Autor: Josu Sánchez-Martín, Robin Turnbull, Akun Liang, Daniel Díaz-Anichtchenko, Saqib Rahman, Hajra Saqib, Mujtaba Ikram, Catalin Popescu, Plácida Rodríguez-Hernández, Alfonso Muñoz, Julio Pellicer-Porres, Daniel Errandonea

Publikováno v: Crystals, Vol 13, Iss 1, p 53 (2022)

We have studied the behaviour of the cubic spinel structure of FeV2O4 under high-pressure by means of powder X-ray diffraction measurements and density-functional theory calculations. The sample was characterized at ambient conditions by energy-dispe

Externí odkaz: https://doaj.org/article/9165162038744db9873e411694d7bebf

Structural Behavior of Minrecordite Carbonate Mineral upon Compression: Effect of Mg → Zn Chemical Substitution in Dolomite-Type Compounds

Autor: David Santamaría-Pérez, Raquel Chuliá-Jordán, Alberto Otero-de-la-Roza, Javier Ruiz-Fuertes, Julio Pellicer-Porres, Catalin Popescu

Publikováno v: ACS Omega. 8:10403-10410

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2759c1aaae567df0b7d21265b77eefd4
https://doi.org/10.1021/acsomega.2c08215

Phase Transitions of BiVO4 under High Pressure and High Temperature

Autor: Josu Sánchez-Martín, Daniel Errandonea, Julio Pellicer-Porres, David Vázquez-Socorro, Domingo Martínez-García, S. Nagabhusan Achary, Catalin Popescu

Publikováno v: Sánchez-Martín, J., Errandonea, D., Pellicer-Porres, J., Vázquez-Socorro, D., Martínez-García, D., Achary, S. N., & Popescu, C. (2022). Phase Transitions of BiVO4 under High Pressure and High Temperature. The Journal of Physical Chemistry C, 126(17), 7755-7763.

We have studied the occurrence of phase transitions in two polymorphs of BiVO4 under high-pressure and high-temperature conditions by means of X-ray diffraction measurements. The fergusonite polymorph undergoes a phase transition at 1.5(1) GPa and ro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c293e9be4fbcd300eb8d2e8f6c0e211
https://hdl.handle.net/10550/87890

Unveiling the role of the lone electron pair in sesquioxides at high pressure: compressibility of β-Sb

Autor: Juan Angel, Sans, Francisco Javier, Manjón, André Luis de Jesus, Pereira, Javier, Ruiz-Fuertes, Catalin, Popescu, Alfonso, Muñoz, Plácida, Rodríguez-Hernández, Julio, Pellicer-Porres, Vanesa Paula, Cuenca-Gotor, Julia, Contreras-García, Jordi, Ibañez, Virginia, Monteseguro

Publikováno v: Dalton transactions (Cambridge, England : 2003). 50(16)

The structural, vibrational and electronic properties of the compressed β-Sb2O3 polymorph, a.k.a. mineral valentinite, have been investigated in a joint experimental and theoretical study up to 23 GPa. The compressibility of the lattice parameters,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::ace0f2a4d1c24cd56f70a14687f7ed18
https://pubmed.ncbi.nlm.nih.gov/33908969

Phonons of hexagonal BN under pressure: Effects of isotopic composition

Autor: Julio Pellicer-Porres, Alfredo Segura, Lluís Artús, Ramón Cuscó, James H. Edgar, Jiahan Li

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
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Raman scattering experiments on isotopically enriched hexagonal boron nitride have been performed under pressure up to 11 GPa at room temperature. The sublinear increase of the Raman-active E2g mode frequencies has been characterized. The pressure be

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd8328107099260eb40576c3f5560ce2
http://hdl.handle.net/10261/233217