Microstrain-assisted polymorphic phase transitions in (Eu1−x La x )2O3

2019 ◽  
Vol 52 (1) ◽  
pp. 32-39 ◽  
Author(s):  
K. A. Irshad ◽  
A. Saikumaran ◽  
V. Srihari ◽  
S. Kalavathi ◽  
N. V. Chandra Shekar

Solid solutions, (Eu1−x La x )2O3 (0 ≤ x ≤ 1), of the rare earth sesquioxides Eu2O3 and La2O3 have been prepared by a simple soft chemistry approach. The composition and morphology of the as-synthesized oxides have been characterized using energy-dispersive spectroscopy and scanning electron microscopy. The particles are of irregular shape and submicrometre size. In order to understand the structural evolution as a function of composition, angle-dispersive X-ray diffraction measurements have been carried out and the structural parameters have been obtained through Rietveld refinement. A structural phase transition from the cubic (C-type) to the monoclinic (B-type) structure and subsequently to the hexagonal (A-type) structure was observed with an increasing substitution of La. A detailed analysis of the transition boundaries in terms of the average cationic radius, R RE, shows that the onset of the C → B transition is at R RE = 0.980 Å, whereas the B → A transition occurs at R RE = 1.025 Å. A biphasic region of cubic and monoclinic structures is observed for 0.2 ≤ x ≤ 0.4 and one of monoclinic and hexagonal structures is observed for 0.5 ≤ x ≤ 0.6. The microstrain induced by the difference in size of the rare earth cations introduces a substitutional disorder in the crystal structure, which is a plausible cause of the observed phase transitions in these oxides.

Author(s):  
Simon Engelbert ◽  
Rolf-Dieter Hoffmann ◽  
Jutta Kösters ◽  
Steffen Klenner ◽  
Rainer Pöttgen

Abstract The structures of the equiatomic stannides RERhSn with the smaller rare earth elements Y, Gd-Tm and Lu were reinvestigated on the basis of temperature-dependent single crystal X-ray diffraction data. GdRhSn crystallizes with the aristotype ZrNiAl at 293 and 90 K. For RE = Y, Tb, Ho and Er the HP-CeRuSn type (approximant with space group R3m) is already formed at room temperature, while DyRhSn adopts the HP-CeRuSn type below 280 K. TmRhSn and LuRhSn show incommensurate modulated variants with superspace groups P31m(1/3; 1/3; γ) 000 (No. 157.1.23.1) (γ = 3/8 for TmRhSn and γ = 2/5 for LuRhSn). The driving force for superstructure formation (modulation) is a strengthening of Rh–Sn bonding. The modulation is expressed in a 119Sn Mössbauer spectrum of DyRhSn at 78 K through line broadening.


2016 ◽  
Vol 71 (1) ◽  
pp. 65-70 ◽  
Author(s):  
Daniel Schildhammer ◽  
Lucas L. Petschnig ◽  
Gerda Fuhrmann ◽  
Gunter Heymann ◽  
Martina Tribus ◽  
...  

AbstractThe new mixed rare earth (RE) orthophosphates Y0.5Er0.5PO4 and Y0.5Yb0.5PO4 were synthesized by a classical solid state reaction in an electrical furnace at 1200 °C. As starting materials, the corresponding rare earth oxides and diammonium hydrogen phosphate were used. The powder diffraction analyses revealed that the new compounds Y0.5Er0.5PO4 and Y0.5Yb0.5PO4 crystallize in a zircon-type structure being isostructural with the rare earth orthophosphate YPO4. Y0.5Er0.5PO4 and Y0.5Yb0.5PO4 crystallize in the tetragonal space group I41/amd (no. 141) with four formula units in the unit cell. The structural parameters based on Rietveld refinements are a = 687.27(2), c = 601.50(2) pm, V = 0.28412(1) nm3, Rp= 0.0143, and Rwp = 0.0186 (all data) for Y0.5Er0.5PO4 and a = 684.61(2), c = 599.31(2) pm, V = 0.28089(2) nm3, Rp = 0.0242, and Rwp = 0.0313 (all data) for Y0.5Yb0.5PO4. Furthermore, the structure of Y0.5Er0.5PO4 was refined from single-crystal X-ray diffraction data: a = 687.78(5), c = 601.85(4) pm, V = 0.28470(5) nm3, R1= 0.0165, and wR2 = 0.0385 (all data). In both compounds, the rare earth metal ions are eightfold coordinated by oxygen atoms, forming two unique interlocking tetrahedra with two individual RE–O distances. The tetrahedral phosphate groups [PO4]3– are slightly distorted in both compounds. The individual rare earth ions share a common position (Wyckoff site 4a). The presence of two rare earth ions in the structures of the new orthophosphates Y0.5Er0.5PO4 and Y0.5Yb0.5PO4 was additionally confirmed by single-crystal EDX spectroscopy revealing a ratio of 1:1.


2019 ◽  
Vol 7 (1) ◽  
Author(s):  
Andreas Stergiou

Conformal field theories (CFTs) with MN and tetragonal global symmetry in d=2+1d=2+1 dimensions are relevant for structural, antiferromagnetic and helimagnetic phase transitions. As a result, they have been studied in great detail with the \varepsilon=4-dε=4−d expansion and other field theory methods. The study of these theories with the nonperturbative numerical conformal bootstrap is initiated in this work. Bounds for operator dimensions are obtained and they are found to possess sharp kinks in the MN case, suggesting the existence of full-fledged CFTs. Based on the existence of a certain large-NN expansion in theories with MN symmetry, these are argued to be the CFTs predicted by the \varepsilonε expansion. In the tetragonal case no new kinks are found, consistently with the absence of such CFTs in the \varepsilonε expansion. Estimates for critical exponents are provided for a few cases describing phase transitions in actual physical systems. In two particular MN cases, corresponding to theories with global symmetry groups O(2)^2\rtimes S_2O(2)2⋊S2 and O(2)^3\rtimes S_3O(2)3⋊S3, a second kink is found. In the O(2)^2\rtimes S_2O(2)2⋊S2 case it is argued to be saturated by a CFT that belongs to a new universality class relevant for the structural phase transition of NbO_22 and paramagnetic-helimagnetic transitions of the rare-earth metals Ho and Dy. In the O(2)^3\rtimes S_3O(2)3⋊S3 case it is suggested that the CFT that saturates the second kink belongs to a new universality class relevant for the paramagnetic-antiferromagnetic phase transition of the rare-earth metal Nd.


2016 ◽  
Vol 34 (1) ◽  
pp. 45-52 ◽  
Author(s):  
Ramakant Bhardwaj

AbstractIn the present paper structural and electronic properties of rare earth pnictides have been presented. The present calculation has been performed using self-consistent tight binding linear muffin tin orbital (TB-LMTO) method within the local density approximation (LDA). The studied compounds undergo a structural phase transition from NaCl-type structure to CsCl-type structure. The electronic band structure and density of states of the pnictides have been reported. The equilibrium lattice parameter a (Å), bulk modulus B (GPa), number of f-states at the Fermi level Nf (states/Ry cell) and volume collapse of AmBi and CmBi have also been reported. The calculated equilibrium structural parameters are in good agreement with the available experimental results.


2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Michael Zoller ◽  
Hubert Huppertz

AbstractThe rare earth oxoborates REB5O8(OH)2 (RE = Ho, Er, Tm) were synthesized in a Walker-type multianvil apparatus at a pressure of 2.5 GPa and a temperature of 673 K. Single-crystal X-ray diffraction data provided the basis for the structure solution and refinement. The compounds crystallize in the monoclinic space group C2 (no. 5) and are composed of a layer-like structure containing dreier and sechser rings of corner sharing [BO4]5− tetrahedra. The rare earth metal cations are coordinated between two adjacent sechser rings. Further characterization was performed utilizing IR spectroscopy.


1982 ◽  
Vol 13 (17) ◽  
Author(s):  
J. C. GIANDUZZO ◽  
R. GEORGES ◽  
B. CHEVALIER ◽  
J. ETOURNEAU ◽  
P. HAGENMULLER ◽  
...  

Minerals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 325
Author(s):  
Sytle Antao

Synchrotron high-resolution powder X-ray diffraction (HRPXRD) and Rietveld structure refinements were used to examine the crystal structure of single phases and intergrowths (either two or three phases) in 13 samples of the helvine-group minerals, (Zn,Fe,Mn)8[Be6Si6O24]S2. The helvine structure was refined in the cubic space group P4¯3n. For the intergrowths, simultaneous refinements were carried out for each phase. The structural parameters for each phase in an intergrowth are only slightly different from each other. Each phase in an intergrowth has well-defined unit-cell and structural parameters that are significantly different from the three endmembers and these do not represent exsolution or immiscibility gaps in the ternary solid-solution series. The reason for the intergrowths in the helvine-group minerals is not clear considering the similar radii, identical charge, and diffusion among the interstitial M cations (Zn2+, Fe2+, and Mn2+) that are characteristic of elongated tetrahedral coordination. The difference between the radii of Zn2+ and Mn2+ cations is 10%. Depending on the availability of the M cations, intergrowths may occur as the temperature, pressure, fugacity fS2, and fluid composition change on crystallization. The Be–Si atoms are fully ordered. The Be–O and Si–O distances are nearly constant. Several structural parameters (Be–O–Si bridging angle, M–O, M–S, average <M–O/S>[4] distances, and TO4 rotational angles) vary linearly with the a unit-cell parameter across the series because of the size of the M cation.


Author(s):  
H. B. Gasimov ◽  
R. M. Rzayev

Cu2Te single crystal was grown by the Bridgman method. X-ray diffraction (XRD) study of Cu2Te single crystals in the temperature range of 293–893 K was performed and possible phase transitions in the mentioned range of temperature have been investigated. (Cu2Te)[Formula: see text](ZnTe)[Formula: see text] single crystals also were grown with [Formula: see text], 0.05, 0.10 concentrations and structural properties of the obtained single crystals were investigated by the XRD method in the temperature range 293–893 K. Lattice parameters and possible phase transitions in the mention temperature range were determined for (Cu2Te)[Formula: see text](ZnTe)[Formula: see text] single crystals for [Formula: see text], 0.05, 0.10 concentrations.


Author(s):  
E.V. Legostaeva ◽  
◽  
M.A. Khimich ◽  
Yu.P. Sharkeev ◽  
A.Yu. Eroshenko ◽  
...  

The effect of heat treatment of the Ti-45Nb alloy in the UFG state on its structural parameters (lattice parameters, volumetric phase ratio, sizes of coherent scattering regions, residual normal stresses) and their relationship with heat capacity have been studied. It has been established that the different character of the temperature dependence of the heat capacity for the Ti-45Nb alloy in the UFG and CC states is associated with the structural-phase features of the alloy in the UFG state: the two-phase structure of a-grains and b-grains, dispersion-hardened by the ω-phase, and phase transitions in the temperature range 400-600 °С.


Sign in / Sign up

Export Citation Format

Share Document