scholarly journals High-pressure reversibility in a plastically flexible coordination polymer crystal

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Xiaojiao Liu ◽  
Adam A. L. Michalchuk ◽  
Biswajit Bhattacharya ◽  
Nobuhiro Yasuda ◽  
Franziska Emmerling ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Coordination Polymer ◽  
Structural Phase ◽  
Low Frequency ◽  
Hydrostatic Compression ◽  
X Ray Diffraction ◽  
X Ray ◽  
Three Point Bending ◽  
Mechanical Responses

AbstractSingle crystals which exhibit mechanical flexibility are promising materials for advanced technological applications. Before such materials can be used, a detailed understanding of the mechanisms of bending is needed. Using single crystal X-ray diffraction and microfocus Raman spectroscopy, we study in atomic detail the high-pressure response of the plastically flexible coordination polymer [Zn(μ-Cl)2(3,5-dichloropyridine)2]n (1). Contradictory to three-point bending, quasi-hydrostatic compression of (1) is completely reversible, even following compression to over 9 GPa. A structural phase transition is observed at ca. 5 GPa. DFT calculations show this transition to result from the pressure-induced softening of low-frequency vibrations. This phase transition is not observed during three-point-bending. Microfocus synchrotron X-ray diffraction revealed that bending yields significant mosaicity, as opposed to compression. Hence, our studies indicate of overall disparate mechanical responses of bulk flexibility and quasi-hydrostatic compression within the same crystal lattice. We suspect this to be a general feature of plastically bendable materials.

scholarly journals Reversibility in a Plastically Flexible Coordination Polymer Crystal: A High-Pressure Study

2020 ◽  
Author(s):  
Xiaojiao Liu ◽  
Adam Michalchuk ◽  
Biswajit Bhattacharya ◽  
Franziska Emmerling ◽  
Colin R. Pulham
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Structural Phase ◽  
Low Frequency ◽  
Hydrostatic Compression ◽  
Three Point Bending ◽  
Flexible Material ◽  
Plastic Materials

<p>Single crystals which exhibit mechanical flexibility are promising materials for advanced technological applications. Before such materials can be used, detailed understanding of the mechanisms and structural effects of bending are needed. Coordination polymer single crystal represent a fascinating class of mechanically flexible material; their bending contradicts existing models. Using single crystal X-ray diffraction and microfocus Raman spectroscopy, we study in atomic detail the high-pressure response of the plastically flexible coordination polymer [Zn(μ‐Cl)<sub>2</sub>(3,5‐dichloropyridine)<sub>2</sub>]<i><sub>n</sub>.</i> In stark contrast to three-point bending, the quasi-hydrostatic compression of the single crystal is completely reversible, even following compression to over 9 GPa. A structural phase transition is observed at <i>ca. </i>5 GPa. <i>Ab initio</i> DFT calculations show this transition to result from the pressure-induced softening of low frequency vibrations. This phase transition is not observed during three-point bending. Our combined experimental and theoretical high-pressure investigation propose slight compression at low levels of bending. However, our studies provide the first indication of overall disparate mechanical responses of bulk flexibility and quasi-hydrostatic compression. We suspect this to be a general feature of mechanically plastic materials. <b></b></p>

scholarly journals Reversibility in a Plastically Flexible Coordination Polymer Crystal: A High-Pressure Study

2020 ◽  
Author(s):  
Xiaojiao Liu ◽  
Adam Michalchuk ◽  
Biswajit Bhattacharya ◽  
Franziska Emmerling ◽  
Colin R. Pulham
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Structural Phase ◽  
Low Frequency ◽  
Hydrostatic Compression ◽  
Three Point Bending ◽  
Flexible Material ◽  
Plastic Materials

<p>Single crystals which exhibit mechanical flexibility are promising materials for advanced technological applications. Before such materials can be used, detailed understanding of the mechanisms and structural effects of bending are needed. Coordination polymer single crystal represent a fascinating class of mechanically flexible material; their bending contradicts existing models. Using single crystal X-ray diffraction and microfocus Raman spectroscopy, we study in atomic detail the high-pressure response of the plastically flexible coordination polymer [Zn(μ‐Cl)<sub>2</sub>(3,5‐dichloropyridine)<sub>2</sub>]<i><sub>n</sub>.</i> In stark contrast to three-point bending, the quasi-hydrostatic compression of the single crystal is completely reversible, even following compression to over 9 GPa. A structural phase transition is observed at <i>ca. </i>5 GPa. <i>Ab initio</i> DFT calculations show this transition to result from the pressure-induced softening of low frequency vibrations. This phase transition is not observed during three-point bending. Our combined experimental and theoretical high-pressure investigation propose slight compression at low levels of bending. However, our studies provide the first indication of overall disparate mechanical responses of bulk flexibility and quasi-hydrostatic compression. We suspect this to be a general feature of mechanically plastic materials. <b></b></p>

scholarly journals Pressure-induced Jahn-Teller Switch in the Homoleptic Hybrid Perovskite [(CH3)2NH2]Cu(HCOO)3: Orbital Reordering by Unconventional Degrees of Freedom

2021 ◽  
Author(s):  
Rebecca Scatena ◽  
Michał Andrzejewski ◽  
Roger D Johnson ◽  
Piero Macchi
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Coordination Polymer ◽  
Degrees Of Freedom ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hybrid Perovskite ◽  
Jahn Teller

Through in-situ, high-pressure x-ray diffraction experiments we have shown that the homoleptic perovskite-like coordination polymer [(CH3)2NH2]Cu(HCOO)3 undergoes a pressure-induced orbital reordering phase transition above 5.20 GPa. This transition is distinct...

scholarly journals Study on the High-Pressure Behavior of Goethite up to 32 GPa Using X-Ray Diffraction, Raman, and Electrical Impedance Spectroscopy

Minerals ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 99 ◽  
Author(s):  
Ruilian Tang ◽  
Jiuhua Chen ◽  
Qiaoshi Zeng ◽  
Yan Li ◽  
Xue Liang ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Impedance Spectroscopy ◽  
Electrical Impedance ◽  
High Pressures ◽  
Structural Phase ◽  
Second Order ◽  
Electrical Impedance Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray

Goethite is a major iron-bearing sedimentary mineral on Earth. In this study, we conducted in situ high-pressure x-ray diffraction, Raman, and electrical impedance spectroscopy measurements of goethite using a diamond anvil cell (DAC) at room temperature and high pressures up to 32 GPa. We observed feature changes in both the Raman spectra and electrical resistance at about 5 and 11 GPa. However, the x-ray diffraction patterns show no structural phase transition in the entire pressure range of the study. The derived pressure-volume (P-V) data show a smooth compression curve with no clear evidence of any second-order phase transition. Fitting the volumetric data to the second-order Birch–Murnaghan equation of state yields V0 = 138.9 ± 0.5 Å3 and K0 = 126 ± 5 GPa.

scholarly journals High-pressure X-ray diffraction and vibrational spectroscopy of polyethylene: Evidence for a structural phase transition

2020 ◽  
Vol 111 ◽  
pp. 103173
Author(s):  
D.M. Dattelbaum ◽  
E.D. Emmons ◽  
A.M. Covington ◽  
L.L. Stevens ◽  
N. Velisavljevic ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Vibrational Spectroscopy ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray

High pressure X-ray diffraction study on the structural phase transition in MnS2

Physica B+C ◽  
1986 ◽  
Vol 139-140 ◽  
pp. 305-307 ◽  
Author(s):  
T. Chattopadhyay ◽  
H.G. von Schnering ◽  
W.A. Grosshans
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Diffraction Study ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray

Phase Transition Study of CaB6 under High Pressure

2013 ◽  
Vol 705 ◽  
pp. 97-100
Author(s):  
Jia Wang ◽  
Gang Peng ◽  
Bao Jia Wu
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Conductivity Change ◽  
Electronic Phase ◽  
Transition Study ◽  
Abnormal Conductivity

Phase transition of CaB6 sample under high pressure was studied by in situ electrical conductivity measurements and synchrotron X-ray diffraction up to 26GPa. Three anomalies in conductivity change were found respectively at 3.7, 12.4 and 21.9GPa. X-ray diffraction reveals that CaB6 transforms from Pm3m to orthogonal structure at 12.32GPa and hence the abnormal conductivity change at 12.4GPa can be attributed to the structural phase transition. The other two anomalies were considered as pressure-induced electronic phase transition in the pressure range of our measurements.

Enhanced Néel temperature in EuSnP under pressure

2019 ◽  
Vol 48 (16) ◽  
pp. 5327-5334 ◽  
Author(s):  
Xin Gui ◽  
Gregory J. Finkelstein ◽  
David E. Graf ◽  
Kaya Wei ◽  
Dongzhou Zhang ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Transition Temperature ◽  
Structural Phase ◽  
Antiferromagnetic Transition ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Resistivity Measurements ◽  
Temperature Dependent Resistivity

The high-pressure single crystal X-ray diffraction results for EuSnP are reported with no structural phase transition below ∼6.2 GPa. Temperature-dependent resistivity measurements up to 2.15 GPa indicate that the antiferromagnetic transition temperature (TN) is significantly enhanced under pressure.

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