Order parameter and critical exponent for the pressure-induced phase transitions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">ReO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Jørgensen, Jens-Erik; Jorgensen, J. D.; Batlogg, B.; Remeika, J. P.; Axe, J. D.

doi:10.1103/physrevb.33.4793

Cited by 97 publications

(95 citation statements)

References 20 publications

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“…Note that all previous EXAFS studies [23,[25][26][27][28][29][30] considered the average structure of ReO 3 to be cubic (P m3m), in full agreement with diffraction data [11,18,22,[31][32][33] as well as with a recent analysis based on the atomic pair distribution function of high-resolution neutron time-of-flight total scattering data [34]. However, these findings do not exclude the presence of randomly distributed local distortions as suggested originally by Yacoby [24] and more recently by Rodriguez [33].…”

Section: Introductionsupporting

confidence: 66%

“…Calculations of the scattering amplitude and phase functions were performed, by the FEFF8 code, for a cluster representing part of a ReO 3 crystal with lattice parameter a 0 = 3.75Å [18], centered on a rhenium atom and having a radius of 8Å. The cluster potential, of the muffin-tin (mt) type with radii R mt (Re) = 1.223Å and R mt (O) = 0.932Å, was calculated in a self-consistent way.…”

Section: A Ab Initio Exafs Modelingmentioning

confidence: 99%

“…On the other hand, ReO 3 exhibits a number of phase transitions under high pressure [18][19][20]. A buckling of the Re-O-Re linear chain, induced by pressure, is at the origin of the so-called "compressibility collapse" [21]: the transverse shift of the average oxygen positions corresponds to a rotation around the main cubic axes of the ReO 6 octahedra.…”

Section: Introductionmentioning

confidence: 99%

“…Large transverse displacements of the bridging oxygen atoms in ReO 3 have been measured since the early diffraction [18,22] and extended x-ray absorption fine structure (EXAFS) [23] experiments also at ambient pressure, i.e., for samples considered undistorted. The possibility of statically disordered octahedral rotations at ambient pressure was originally suggested by Yacoby et al [24].…”

Section: Introductionmentioning

confidence: 99%

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X-ray absorption spectroscopy study of local dynamics and thermal expansion inReO3

et al. 2015

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The thermal expansion of polycrystalline ReO 3 is studied in vacuum by x-ray diffraction from 300 to 600 K and by extended x-ray absorption fine structure (EXAFS) at the Re L 3 edge from 30 to 600 K. A detailed EXAFS analysis is presented up to the sixth coordination shell around Re. The crystal thermal expansion is weak throughout the explored range, negative below 100 K, positive from 150 to 500 K, and negative again above 500 K. The analysis of mean square relative displacements obtained by EXAFS and of mean square displacements available from x-ray and neutron diffraction measurements confirms the presence of significant static disorder in the investigated samples. EXAFS results suggest that below 500 K in ReO 3 at least some of the octahedra are slightly and disorderly rotated by an average angle θ , whose value decreases when the temperature increases. This explains why ReO 3 , in spite of the possibility of supporting rigid unit modes, shows a weak positive expansion at increasing temperatures, from 150 up to 500 K. Results are discussed and compared with recent experimental and theoretical work on materials characterized by negative thermal expansion.

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Section: Introductionsupporting

confidence: 66%

Section: A Ab Initio Exafs Modelingmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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X-ray absorption spectroscopy study of local dynamics and thermal expansion inReO3

et al. 2015

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“…Anisotropic refinements of the displacement parameters of La led to strongly oblate ellipsoids with large extension in the directions perpendicular to the N-La direction and U 11 = U 22 ≈ 3 × U 33 (see Table 2 and Figure 1). Such displacement was frequently observed for related binary octahedra framework structures with ReO 3 structure type (e. g., Cu 3 N [40] and ReO 3 itself [41,42]) and a variety of Perovskites ABO 3 , and often associated with atomic/ionic size mismatch in the structure prior distortion. Distortion typically proceeds by static tilting of the octahedra at somewhat lower temperatures or higher pressures.…”

Section: Crystal Structure Details and Compositionsmentioning

confidence: 99%

(La₃ Z _x)Al and (Ce₃ Z _x)Al with Z = C, N, O: preparation, physical properties and chemical bonding of metal-rich perovskites

Kirchner

Gäbler

Schnelle

et al. 2006

Zeitschrift Für Kristallographie - Crystalline Materials

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Abstract. The inverse cubic Perovskites (La 3 O)Al, (La 3 N)Al, (Ce 3 O)Al, and (Ce 3 N)Al are reported together with the solid solution series (Ce 3 C 1-x N x )Al. The crystal structure of (La 3 N)Al is analyzed in detail based on single crystal X-ray diffraction data (Space group Pm 3 m, a = 509.04(1) pm, Z = 1, R gt (F) = 0.008, wR(F 2 ) = 0.018). Combined X-ray powder diffraction and thermal analysis studies on samples with various N and O contents indicate only small tolerance of the ternary compounds towards Z = N, O deficiency and small solubility of Z in hexagonal α-Ce 3 Al. Indications for the existence of a cubic β-Ce 3 Al with Cu 3 Au structure type could not be derived from any experiment. All studied phases are metals, the Ce compounds contain the rare-earth metal in Ce(4f 1 ) states according to X-ray absorption spectroscopy and measurements of the magnetic susceptibilities. The Ce moments order antiferromagnetically with T N decreasing and scaling with increasing unit cell dimension of the compounds. Electronic band structure calculations reveal a trend to increased mixing of Z and La states on going from Z = O via N to C. Formation of a band gap even in the formally electronically balanced (La 3 C)Al is mainly prohibited by insufficient charge transfer between the metal species.

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Perovskites with the Framework‐Forming Xenon

et al. 2015

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The Group 18 elements (noble gases) were the last ones in the periodic system to have not been encountered in perovskite structures.W eh erein report the synthesis of an ew group of double perovskites KM(XeNaO 6 )( M= Ca, Sr,B a) containing framework-forming xenon. The structures of the new compounds,like other double perovskites,are built up of the alternating sequence of corner-sharing (XeO 6 )and (NaO 6 ) octahedra arranged in athree-dimensional rocksalt order.The fact that xenon can be incorporated into the perovskite structure provides new insights into the problem of Xe depletion in the atmosphere.S ince octahedrally coordinated Xe VIII and Si IV exhibit close values of ionic radii (0.48 and 0.40 , respectively), one could assume that Xe VIII can be incorporated into hyperbaric frameworks such as MgSiO 3 perovskite.T he ability of Xe to form stable inorganic frameworks can further extend the rich and still enigmatic chemistry of this noble gas.

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Order parameter and critical exponent for the pressure-induced phase transitions inReO3

Cited by 97 publications

References 20 publications

X-ray absorption spectroscopy study of local dynamics and thermal expansion inReO3

X-ray absorption spectroscopy study of local dynamics and thermal expansion inReO3

(La₃ Z _x)Al and (Ce₃ Z _x)Al with Z = C, N, O: preparation, physical properties and chemical bonding of metal-rich perovskites

Perovskites with the Framework‐Forming Xenon

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Order parameter and critical exponent for the pressure-induced phase transitions inReO3

Cited by 97 publications

References 20 publications

X-ray absorption spectroscopy study of local dynamics and thermal expansion inReO3

X-ray absorption spectroscopy study of local dynamics and thermal expansion inReO3

(La3 Z x)Al and (Ce3 Z x)Al with Z = C, N, O: preparation, physical properties and chemical bonding of metal-rich perovskites

Perovskites with the Framework‐Forming Xenon

Contact Info

Product

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About

(La₃ Z _x)Al and (Ce₃ Z _x)Al with Z = C, N, O: preparation, physical properties and chemical bonding of metal-rich perovskites