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 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 Johnson ◽  
Piero Macchi
Keyword(s):  
Phase Transition ◽  
Coordination Polymer ◽  
Degrees Of Freedom ◽  
X Ray Diffraction ◽  
Hybrid Perovskite ◽  
Jahn Teller ◽  
And Shifts ◽  
A Site ◽  
Structural Instabilities

<div> <p><b>Through in-situ, high-pressure x-ray diffraction experiments we have shown that the homoleptic perovskite-like coordination polymer [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]Cu(HCOO)<sub>3</sub> undergoes a pressure-induced orbital reordering phase transition above 5.20 GPa. This transition is distinct from previously reported Jahn-Teller switching in coordination polymers, which required at least two different ligands that crystallize in a reverse spectrochemical series. We show that the orbital reordering phase transition in [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]Cu(HCOO)<sub>3</sub> is instead primarily driven by unconventional octahedral tilts and shifts in the framework, and/or a reconfiguration of A-site cation ordering. These structural instabilities are unique to the coordination polymer perovskites, and may form the basis for undiscovered orbital reorientation phenomena</b><b> in this broad family of materials.</b><b></b></p> </div> <b><br></b>

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 Johnson ◽  
Piero Macchi
Keyword(s):  
Phase Transition ◽  
Coordination Polymer ◽  
Degrees Of Freedom ◽  
X Ray Diffraction ◽  
Hybrid Perovskite ◽  
Jahn Teller ◽  
And Shifts ◽  
A Site ◽  
Structural Instabilities

<div> <p><b>Through in-situ, high-pressure x-ray diffraction experiments we have shown that the homoleptic perovskite-like coordination polymer [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]Cu(HCOO)<sub>3</sub> undergoes a pressure-induced orbital reordering phase transition above 5.20 GPa. This transition is distinct from previously reported Jahn-Teller switching in coordination polymers, which required at least two different ligands that crystallize in a reverse spectrochemical series. We show that the orbital reordering phase transition in [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]Cu(HCOO)<sub>3</sub> is instead primarily driven by unconventional octahedral tilts and shifts in the framework, and/or a reconfiguration of A-site cation ordering. These structural instabilities are unique to the coordination polymer perovskites, and may form the basis for undiscovered orbital reorientation phenomena</b><b> in this broad family of materials.</b><b></b></p> </div> <b><br></b>

A new high-pressure phase transition in clinoferrosilite: In situ single-crystal X-ray diffraction study

2017 ◽  
Vol 102 (3) ◽  
pp. 666-673 ◽  
Author(s):  
Anna Pakhomova ◽  
Leyla Ismailova ◽  
Elena Bykova ◽  
Maxim Bykov ◽  
Tiziana Boffa Ballaran ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Single Crystal ◽  
Diffraction Study ◽  
High Pressure Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Pressure Phase Transition ◽  
Pressure Phase

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.

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.

scholarly journals Pressure-induced phase transition of La2Zr2O7 and La0.5Gd1.5Zr2O7 pyrochlore

RSC Advances ◽  
2019 ◽  
Vol 9 (33) ◽  
pp. 18954-18962 ◽  
Author(s):  
Jingjing Niu ◽  
Xiang Wu ◽  
Haibin Zhang ◽  
Shan Qin
Keyword(s):  
Phase Transition ◽  
Raman Spectroscopy ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil

In situ high-pressure experiments on La2Zr2O7 and La0.5Gd1.5Zr2O7 have been carried out at up to approximately 40 GPa using synchrotron X-ray diffraction and Raman spectroscopy combined with a diamond anvil cell technique.

PHASE TRANSITION IN LAYERED PEROVSKITE LIKE MANGANATE Ca3Mn2O7 UNDER HIGH PRESSURE

2001 ◽  
Vol 15 (18) ◽  
pp. 2491-2497 ◽  
Author(s):  
J. L. ZHU ◽  
L. C. CHEN ◽  
R. C. YU ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
The Other ◽  
Layered Perovskite ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Diamond Anvil

In situ high pressure energy dispersive X-ray diffraction measurements on layered perovskite-like manganate Ca 3 Mn 2 O 7 under pressures up to 35 GPa have been performed by using diamond anvil cell with synchrotron radiation. The results show that the structure of layered perovskite-like manganate Ca 3 Mn 2 O 7 is unstable under pressure due to the easy compression of NaCl-type blocks. The structure of Ca 3 Mn 2 O 7 underwent two phase transitions under pressures in the range of 0~35 GPa. One was at about 1.3 GPa with the crystal structure changing from tetragonal to orthorhombic. The other was at about 9.5 GPa with the crystal structure changing from orthorhombic back to another tetragonal.

scholarly journals Revealing the mechanism of electric-field-induced phase transition in antiferroelectric NaNbO3 by in situ high-energy x-ray diffraction

2021 ◽  
Vol 118 (13) ◽  
pp. 132903
Author(s):  
Mao-Hua Zhang ◽  
Changhao Zhao ◽  
Lovro Fulanović ◽  
Jürgen Rödel ◽  
Nikola Novak ◽  
...  
Keyword(s):  
Phase Transition ◽  
Electric Field ◽  
High Energy ◽  
X Ray Diffraction ◽  
X Ray
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