Structural and lattice-dynamical properties of Tb2O3 under compression: a comparative study with rare-earth and related sesquioxides
Jordi Ibáñez, Juan Ángel Sans, Vanesa Cuenca-Gotor, Robert Oliva, Óscar Gomis, Plácida Rodríguez-Hernández, Alfonso Muñoz, Ulises Rodríguez-Mendoza, Matías Velá… 展开作者
Jordi Ibáñez, Juan Ángel Sans, Vanesa Cuenca-Gotor, Robert Oliva, Óscar Gomis, Plácida Rodríguez-Hernández, Alfonso Muñoz, Ulises Rodríguez-Mendoza, Matías Velázquez, Philippe Veber, Catalin Popescu, Francisco Javier Manjón
备注：
Supplementary Material is attached below the main manuscript
We report a joint experimental and theoretical investigation of the high-pressure structural and vibrational properties of terbium sesquioxide (Tb2O3). Powder x-ray diffraction and Raman scattering measurements show that cubic (C-type) Tb2O3 undergoes two phase transitions up to 25 GPa. We observe a first irreversible reconstructive transition to the monoclinic (B-type) phase at ~7 GPa and a subsequent reversible displacive transition from the monoclinic to the trigonal (A-type) phase at ~12 GPa. Thus, Tb2O3 is found to follow the well-known C-B-A phase transition found in other cubic rare-earth sesquioxides with cations of larger atomic mass than Tb. Our ab initio theoretical calculations predict phase transition pressures and bulk moduli for the three phases in rather good agreement with experimental results. Moreover, Raman-active modes of the three phases have been monitored as a function of pressure and lattice-dynamics calculations have allowed us to confirm the assignment of the experimental phonon modes in the C-type phase as well as to make a tentative assignment of the symmetry of most vibrational modes in the B- and A-type phases. Finally, we extract the bulk moduli and the Raman-active modes frequencies together with their pressure coefficients for the three phases of Tb2O3. These results are thoroughly compared and discussed in relation to those reported for rare-earth and other related sesquioxides. It is concluded that the evolution of the volume and bulk modulus of all the three phases of these technologically relevant compounds exhibit a nearly linear trend with respect to the third power of the ionic radii of the cations.
Comparative high-pressure study on rare-earth entropy fluorite-type oxides
Universitat de Valencia（瓦伦西亚大学）；Institut de Ciència dels Materials de la Universitat de València（瓦伦西亚大学材料科学研究所）；University of Zagreb（萨格勒布大学）；Diamond Light Source Ltd.（钻石光源有限公司）；CELLS-ALBA Synchrotron Light Facility（CELLS-ALBA同步辐射光源设施）
Evidence of electronic phase arrest and glassy ferromagnetic behaviour in (Nd0.4Gd0.3)Sr0.3MnO3 manganite : Comparative study between bulk and nanometric samples
Effect of the nature of alkali and alkaline-earth oxides on the structure and crystallization of an aluminoborosilicate glass developed to immobilize highly concentrated nuclear waste solutions
Revisiting Phase Transitions of Yttrium: Insights from Density Functional Theory
The Maharaja Sayajirao University of Baroda（瓦多达拉玛哈拉贾·萨亚吉罗大学）；Warsaw University of Technology（华沙理工大学）；Cardinal Stefan Wyszyński University in Warsaw（华沙斯特凡·维辛斯基红衣主教大学）；Bialystok University of Technology（比亚韦斯托克理工大学）
Theoretical investigation of the more suitable rare earth to achieve high gain in waveguide based on silica containing silicon nanograins doped with either Nd3+ or Er3+ ions
Modeling of optical amplifier waveguide based on silicon nanostructures and rare earth ions doped silica matrix gain media by a finite-difference time-domain method: comparison of achievable gain with Er3+ or Nd3+ ions dopants
