scholarly journals Aberrant electronic and structural alterations in pressure tuned perovskite NaOsO3

2020 ◽  
Vol 5 (1) ◽  
Author(s):  
Raimundas Sereika ◽  
Peitao Liu ◽  
Bongjae Kim ◽  
Sooran Kim ◽  
Jianbo Zhang ◽  
...  
Keyword(s):  
High Pressure ◽  
Structural Transition ◽  
Metallic State ◽  
Polar Phase ◽  
X Ray Diffraction ◽  
Metal Insulator ◽  
X Ray ◽  
New States ◽  
Induced Changes ◽  
Electronic Character

Abstract The perovskite NaOsO3 has a metal–insulator transition at temperature 410 K, which is delicate, intriguing, and provokes a lot of debate on its nature. Our combined electrical resistance, Raman, and synchrotron x-ray diffraction experiments show that the insulating ground state in this osmate endures under high pressure up to at least 35 GPa. In this pressure range, compression reveals hidden hysteretic resistance properties with a transient metallic state near 200 K, manifested three electronic character anomalies (at 1.7, 9.0, and 25.5 GPa), and a structural transition to the singular polar phase (at ~18 GPa). We distinguish NaOsO3 from the regular crystallographic behavior of perovskites, though the electrical specificities resemble iridates and nickelates. The theoretical first-principle band structure and lattice dynamics calculations demonstrate that the magnetically itinerant Lifshitz-type mechanism with spin–orbit and spin–phonon interactions is responsible for these pressure-induced changes. Our findings provide another new playground for the emergence of new states in 5d materials by using high-pressure methods.

scholarly journals Structural and electronic behaviour of MoS2, MoSe2and MoTe2at high pressure

2014 ◽  
Vol 70 (a1) ◽  
pp. C1619-C1619
Author(s):  
Liliana Grajcarova ◽  
Michaela Riflikova ◽  
Roman Martonak ◽  
Erio Tosatti
Keyword(s):  
High Pressure ◽  
Electronic Transition ◽  
Structural Changes ◽  
Structural Transition ◽  
Transition Metal Dichalcogenides ◽  
X Ray Diffraction ◽  
X Ray ◽  
Excitonic Insulator ◽  
Metal Dichalcogenides ◽  
Indirect Band Gap

Using ab initio calculations and metadynamics simulations we studied the behaviour of layered semiconducting transition metal dichalcogenides, MoX2 (X = S, Se, Te) at high pressure with focus on structural transitions and metallization [1,2]. We found that concerning structure, the behaviour of MoS2 is different from that of MoSe2 and MoTe2. In MoS2 pressure induces at 20 GPa a structural transition where layer sliding takes place, bringing the initial 2Hc stacking to a 2Ha stacking typical of e.g. 2H-NbSe2. This finding naturally explains previous X-ray diffraction and Raman spectroscopy data and was very recently confirmed by new X-ray diffraction experiments[3]. On the other hand, this transition does not occur in MoSe2 and MoTe2 where instead the initial 2Hc stacking remains stable. Besides structural changes pressure in MoS2 induces also a semiconductor - semimetal transition which takes place by band overlap and closing of indirect band gap. This electronic transition occurs in the same region where the structural transition takes place, at 25 GPa in the 2Hc phase and at 20 GPa in the 2Ha phase. In case of MoSe2 and MoTe2 a very similar electronic transition leading to semimetal is predicted to occur at 28 GPa and 13 GPa, respectively. All three materials exhibit after metallization a low density of states at the Fermi level implying low superconducting temperature (if any). Due to absence of structural transition in the metallization region MoSe2 and MoTe2 could be suitable candidate materials for observation of the excitonic insulator phase.

The charge ordered state and the possible 2kF-CDW state with Fermi surface nesting in organic conductor θ-(BEDT-TTF)2MM'(SCN)4 (MM' = RbZn, CsCo)

2002 ◽  
Vol 12 (9) ◽  
pp. 231-232
Author(s):  
M. Watanabe ◽  
Y. Noda ◽  
Y. Nogami ◽  
K. Oshima ◽  
H. Mori
Keyword(s):  
High Pressure ◽  
Fermi Surface ◽  
Molecular Shape ◽  
Correlation Effect ◽  
X Ray Diffraction ◽  
Metal Insulator ◽  
X Ray ◽  
Fermi Surface Nesting ◽  
Small Change ◽  
Ordered State

Two-dimensional organic conhctor θ-(BEDT-TTF)2RbZn(SCN)4 and θ-(BEDT-TT)2CsCo(SCN)4 were investigated by X-ray diffraction measurements. Both salts exhibit an isostructural crystal structure at room temperature (RT). However, the RbZn salt unkrgoes a metal-insulator transition associated with superlattice formation of $2c$. The charge ordered state below TMI, was observed by aystal structure analysis taking into account of the superlattice. This mohlation of $2c$ has no relation to the topology of the calculated Fermi surface nesting vector at all. Below TMI, the systematic & formations of BEDT-TTF molecular shape indicatedcharge disproportionation between BEDT-TTFs possibly caused by the electron correlation effect. On the other hand, in the CsCo salt, another incommensurate lattice modulation was found under high pressure of 1 GPa This incommensurate mohlation vector of (2/3 0 0.29) is in agreement with the nesting vector of Fermi surface under high pressure. In this system, it seems that small change caused by chemical substitution can vary the electronic state from the charge ordered state to the CDW state.

Effect of high pressure-temperature on silicon layered structures as determined by X-ray diffraction and electron microscopy

2004 ◽  
Vol 27 (1-3) ◽  
pp. 415-418
Author(s):  
J. Bak-Misiuk ◽  
A. Misiuk ◽  
J. Ratajczak ◽  
A. Shalimov ◽  
I. Antonova ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
High Pressure ◽  
Layered Structures ◽  
X Ray Diffraction ◽  
X Ray

Revisiting the High-Pressure Properties of the Metal-Organic Frameworks ZIF-8 and ZIF-67

2020 ◽  
Author(s):  
Pia Vervoorts ◽  
Stefan Burger ◽  
Karina Hemmer ◽  
Gregor Kieslich
Keyword(s):  
High Pressure ◽  
State Of The Art ◽  
Energy Landscape ◽  
Structural Flexibility ◽  
Zeolitic Imidazolate Frameworks ◽  
Stimuli Responsive ◽  
X Ray Diffraction ◽  
X Ray ◽  
Open Questions ◽  
Metal Organic

The zeolitic imidazolate frameworks ZIF-8 and ZIF-67 harbour a series of fascinating stimuli responsive properties. Looking at their responsitivity to hydrostatic pressure as stimulus, open questions exist regarding the isotropic compression with non-penetrating pressure transmitting media. By applying a state-of-the-art high-pressure powder X-ray diffraction setup, we revisit the high-pressure behaviour of ZIF-8 and ZIF-67 up to <i>p</i> = 0.4 GPa in small pressure increments. We observe a drastic, reversible change of high-pressure powder X-ray diffraction data at <i>p</i> = 0.3 GPa, discovering large volume structural flexibility in ZIF-8 and ZIF-67. Our results imply a shallow underlying energy landscape in ZIF-8 and ZIF-67, an observation that might point at rich polymorphism of ZIF-8 and ZIF-67, similar to ZIF-4(Zn).<br>

Revisiting the High-Pressure Properties of the Metal-Organic Frameworks ZIF-8 and ZIF-67

2020 ◽  
Author(s):  
Pia Vervoorts ◽  
Stefan Burger ◽  
Karina Hemmer ◽  
Gregor Kieslich
Keyword(s):  
High Pressure ◽  
State Of The Art ◽  
Energy Landscape ◽  
Structural Flexibility ◽  
Zeolitic Imidazolate Frameworks ◽  
Stimuli Responsive ◽  
X Ray Diffraction ◽  
X Ray ◽  
Open Questions ◽  
Metal Organic

The zeolitic imidazolate frameworks ZIF-8 and ZIF-67 harbour a series of fascinating stimuli responsive properties. Looking at their responsitivity to hydrostatic pressure as stimulus, open questions exist regarding the isotropic compression with non-penetrating pressure transmitting media. By applying a state-of-the-art high-pressure powder X-ray diffraction setup, we revisit the high-pressure behaviour of ZIF-8 and ZIF-67 up to <i>p</i> = 0.4 GPa in small pressure increments. We observe a drastic, reversible change of high-pressure powder X-ray diffraction data at <i>p</i> = 0.3 GPa, discovering large volume structural flexibility in ZIF-8 and ZIF-67. Our results imply a shallow underlying energy landscape in ZIF-8 and ZIF-67, an observation that might point at rich polymorphism of ZIF-8 and ZIF-67, similar to ZIF-4(Zn).<br>

scholarly journals High-pressure synthesis and crystal structure of the mixed-cation borate Ga4In4B15O33(OH)3

2019 ◽  
Vol 74 (4) ◽  
pp. 357-363
Author(s):  
Daniela Vitzthum ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Mixed Cation ◽  
High Pressure High Temperature ◽  
Pressure Synthesis

AbstractThe mixed cation triel borate Ga4In4B15O33(OH)3 was synthesized in a Walker-type multianvil apparatus at high-pressure/high-temperature conditions of 12.5 GPa and 1300°C. Although the product could not be reproduced in further experiments, its crystal structure could be reliably determined via single-crystal X-ray diffraction data. Ga4In4B15O33(OH)3 crystallizes in the tetragonal space group I41/a (origin choice 2) with the lattice parameters a = 11.382(2), c = 15.244(2) Å, and V = 1974.9(4) Å3. The structure of the quaternary triel borate consists of a complex network of BO4 tetrahedra, edge-sharing InO6 octahedra in dinuclear units, and very dense edge-sharing GaO6 octahedra in tetranuclear units.

scholarly journals High Pressure X-ray Diffraction as a Tool for Designing Doped Ceria Thin Films Electrolytes

Coatings ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 724
Author(s):  
Sara Massardo ◽  
Alessandro Cingolani ◽  
Cristina Artini
Keyword(s):  
Thin Films ◽  
High Pressure ◽  
Rare Earth ◽  
Ionic Conductivity ◽  
Bulk Material ◽  
Threshold Temperature ◽  
Doped Ceria ◽  
X Ray Diffraction ◽  
X Ray ◽  
Rare Earth Doped

Rare earth-doped ceria thin films are currently thoroughly studied to be used in miniaturized solid oxide cells, memristive devices and gas sensors. The employment in such different application fields derives from the most remarkable property of this material, namely ionic conductivity, occurring through the mobility of oxygen ions above a certain threshold temperature. This feature is in turn limited by the association of defects, which hinders the movement of ions through the lattice. In addition to these issues, ionic conductivity in thin films is dominated by the presence of the film/substrate interface, where a strain can arise as a consequence of lattice mismatch. A tensile strain, in particular, when not released through the occurrence of dislocations, enhances ionic conduction through the reduction of activation energy. Within this complex framework, high pressure X-ray diffraction investigations performed on the bulk material are of great help in estimating the bulk modulus of the material, and hence its compressibility, namely its tolerance toward the application of a compressive/tensile stress. In this review, an overview is given about the correlation between structure and transport properties in rare earth-doped ceria films, and the role of high pressure X-ray diffraction studies in the selection of the most proper compositions for the design of thin films.

scholarly journals High-pressure synthesis of REB5O8(OH)2 (RE = Ho, Er, Tm)

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Michael Zoller ◽  
Hubert Huppertz
Keyword(s):  
High Pressure ◽  
Rare Earth ◽  
Ir Spectroscopy ◽  
Earth Metal ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Solution ◽  
Pressure Synthesis ◽  
The Rare Earth

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.

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