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Joint experimental and theoretical study of bulk Y2O3 at high pressure

DOI: 10.1016/j.rinp.2023.106499 DOI Help

Authors: A. L. J. Pereira (Universitat Politècnica de València; Instituto Tecnológico de Aeronáutica - ITA) , J. A. Sans (Universitat Politècnica de València) , O. Gomis (Universitat Politècnica de València) , D. Santamaria-Perez (Universitat de Valencia) , S. Ray (Rabindranath Tagore University) , A. Godoy (Instituto Tecnológico de Aeronáutica - ITA) , A. S. Da Silva-Sobrinho (Instituto Tecnológico de Aeronáutica - ITA) , P. Rodríguez-Hernández (Universidad de La Laguna) , A. Muñoz (Universidad de La Laguna) , C. Popescu (CELLS-ALBA Synchrotron Light Facility) , F. J. Manjon (Universitat Politècnica de València)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Results In Physics , VOL 8

State: Published (Approved)
Published: May 2023
Diamond Proposal Number(s): 6073

Open Access Open Access

Abstract: We report a joint experimental and theoretical study of the structural and vibrational properties of C-type bulk Y2O3 under hydrostatic compression. The combination of high-pressure X-ray diffraction and Raman scattering experimental measurements with ab initio theoretical calculations on bulk Y2O3 allows us to confirm the cubic (C-type) - monoclinic (B-type) - trigonal (A-type) phase transition sequence on the upstroke and the trigonal-monoclinic phase transition on the downstroke. This result reconciles with the results already found in related rare-earth sesquioxides of cations with similar ionic radii as Y, such as Ho2O3 and Dy2O3, and ends with the controversy regarding the existence of the intermediate monoclinic phase between the cubic and trigonal phases in pure bulk Y2O3 on the upstroke. As a byproduct, the good agreement between experimental and calculated results allows us to use extensive theoretical data to discuss the structural and vibrational behavior of the three phases of Y2O3 under compression, thus allowing a more detailed understanding of the effect of pressure on rare-earth sesquioxides than previous studies.

Journal Keywords: Yttrium Oxide; rare-earch sesquioxides; high-pressure; x-ray diffraction; Raman scattering; ab initio calculations

Subject Areas: Materials, Physics

Instruments: I15-Extreme Conditions

Other Facilities: BL04-MSPD at ALBA

Added On: 10/05/2023 09:40


Discipline Tags:

Hard condensed matter - electronic properties Physics Hard condensed matter - structures Materials Science

Technical Tags:

Diffraction High-Pressure X-ray Diffraction (HP-XRD)