Low-Temperature Elastic Moduli of Lead

Waldorf, D.; Alers, G. A.

doi:10.1063/1.1931149

Cited by 135 publications

(23 citation statements)

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“…Data were collected at 0.55 GPa before finally releasing the load altogether. [33][34][35] All intramolecular bond distances and angles were constrained to their ambient pressure values, with all N-D and C-D distances fixed at 1.05 Å and 1.09 Å, respectively. 12.…”

Section: Structure Solution and Refinementmentioning

confidence: 99%

How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine

et al. 2015

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The crystal structures of amino acids, which are composed of molecules in their zwitterionic tautomers, are usually interpreted in terms of strong NH⋯O hydrogen bond formation between the ammonium and carboxylate groups supported by weaker dispersion or CH⋯O interactions. This view of the factors which promote thermodynamic stability in the crystalline amino acids has been re-examined in two phases of glycine, the trigonal γ-form, which is the thermodynamically most stable form under ambient conditions, and the ε-form, which is generated from γ-glycine at high pressure. A combination of Hirshfeld surface analysis, periodic DFT, PIXEL and symmetry-adapted perturbation theory calculations indicates that the conventional interpretation of intermolecular interactions in crystalline amino acids phases fails to recognise the over-whelming significance of Coulombic attraction and repulsion. There are no intermolecular interactions in either phase that can plausibly be described as dispersion-based. The interaction energies of molecules connected by so-called CH⋯O H-bonds are far in excess of accepted values for such interactions. Of the 14 closest intermolecular contacts in both phases, six have destabilizing interaction energies:in γ-glycine a hydrogen bond with 'text-book' NH⋯O contact geometry is part of a destabilising molecule-molecule interaction. The relative stabilities of the phases are best understood not in terms of a series of stabilising atom-atom contacts, but rather as a balance between efficient filling of space in the highpressure ε-phase, and more weakly repulsive electrostatic whole-molecule interactions in the γ-phase. CrystEngCommThis journal is

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Section: Structure Solution and Refinementmentioning

confidence: 99%

How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine

et al. 2015

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“…During the experiment, the position of the (200) Pb Bragg reflection at ca 2.5 Å was used as a guide to the pressure; upon refinement of the model, a more precise value was obtained from the Pb lattice parameter and equation of state. [30][31][32][33] These values were used as the abscissae in Figures 2-4. X-ray diffraction as a function of temperature and subsequent structural refinement, were conducted using a P'Analytical X'Pert MPD (Almelo, the Netherlands) with associated HIGHSCORE PLUS software.…”

Section: Methodsmentioning

confidence: 99%

Pressure induced para-antiferromagnetic switching in BiFeO3–PbTiO3 as determined using in-situ neutron diffraction

Comyn

Stevenson

Al-Jawad

et al. 2013

Journal of Applied Physics

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ReuseUnless indicated otherwise, fulltext items are protected by copyright with all rights reserved. The copyright exception in section 29 of the Copyright, Designs and Patents Act 1988 allows the making of a single copy solely for the purpose of non-commercial research or private study within the limits of fair dealing. The publisher or other rights-holder may allow further reproduction and re-use of this version -refer to the White Rose Research Online record for this item. Where records identify the publisher as the copyright holder, users can verify any specific terms of use on the publisher's website. TakedownIf you consider content in White Rose Research Online to be in breach of UK law, please notify us by emailing eprints@whiterose.ac.uk including the URL of the record and the reason for the withdrawal request.Pressure induced para-antiferromagnetic switching in BiFeO 3 -PbTiO 3 as determined using in-situ neutron diffraction BiFeO 3 -PbTiO 3 exhibits both ferroelectric and antiferromagnetic order, depending on the composition. Moderate hydrostatic pressures have been used at room temperature to transform the crystallographic phase from P4mm to R3c for the compositions 0.7BiFeO 3 -0.3PbTiO 3 and 0.65BiFeO 3 -0.35PbTiO 3 ,a sd e t e r m i n e du s i n gin-situ neutron diffraction. Using Rietveld refinements, the resultant data showed that, for both compositions, a transformation from para-to G-type antiferromagnetic order accompanied the structural transition. The transformation occurred over the range 0.4-0.77 and 0.67-0.88 GPa for 0.7BiFeO 3 -0.3PbTiO 3 and 0.65BiFeO 3 -0.35PbTiO 3 , respectively; at intermediate pressures, a mixture of P4mm and R3c phases were evident. These pressures are far lower than required to induce a phase transition in either the BiFeO 3 or PbTiO 3 end members. The driving force for this pressure induced first order phase transition is a significant difference in volume between the two phases, P4mm > R3c of 4%-5%, at ambient pressure. Upon removal of the pressure, 0.65BiFeO 3 -0.35PbTiO 3 returned to the paramagnetic tetragonal state, whereas in 0.7BiFeO 3 -0.3PbTiO 3 antiferromagnetic ordering persisted, and the structural phase remained rhombohedral. Using conventional laboratory x-ray diffraction with a hot-stage, the phase readily reverted back to a tetragonal phase, at temperatures between 100 and 310 Cf o r 0.7BiFeO 3 -0.3PbTiO 3 , far lower than the ferroelectric Curie point for this composition of 632 C. To our knowledge, the reported pressure induced para-to antiferromagnetic transition is unique in the literature. V C 2013 AIP Publishing LLC.[http://dx

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“…We used the values b, = 0.9404 x cni, 6, = 0.8523 x x 0.36) x lo-, by extrapolation of measurements at 203 K and 384.5 K [16] to low temperatures. With li = (4.88 0.02) x loll dyn/ crn2 a t 7' = 10 K [17] we get Tr P/:3 = (0.49 0.10) eV. With these values we calculated the contour map shown in Fig.…”

Section: ( 2 )mentioning

confidence: 99%

A trigonal distortion field for substitutionally dissolved Bi atoms in Pb

Seitz

Schmatz

Bauer

et al. 1978

Phys. Stat. Sol. (a)

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Measurements of the diffuse scattering of neutrons from a single crystal of lead containing 4.1 at% of bismuth give a narrow peak at the (110) point of the reciprocal lattice. Within the framework of lattice statics theory this peak indicates a non‐cubic force distribution around the Bi‐atoms, most likely a strong binding to three nearest neighbour Pb atoms resulting in a trigonal displacement field around the Bi atoms. However, the narrow width of the peak cannot be explained on the basis of the usual Kanzaki force model for isolated defects. Assuming an orientational correlation between those trigonal displacement fields in a region of about 50 Å in diameter also the sharpness of the peak can be described.

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Low-Temperature Elastic Moduli of Lead

Abstract: Articles you may be interested inLow-temperature anomalies in the dynamic elastic moduli of cubic AIIBVI crystals with 3d-transition metal impurities Low Temp.

Cited by 135 publications

References 10 publications

How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine

How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine

Pressure induced para-antiferromagnetic switching in BiFeO3–PbTiO3 as determined using in-situ neutron diffraction

A trigonal distortion field for substitutionally dissolved Bi atoms in Pb

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