| 1. |
- Ji, Cheng, et al.
(författare)
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Crystallography of low Z material at ultrahigh pressure : Case study on solid hydrogen
- 2020
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Ingår i: Matter and Radiation at Extremes. - : American Institute of Physics (AIP). - 2468-2047 .- 2468-080X. ; 5:3
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Tidskriftsartikel (refereegranskat)abstract
- Diamond anvil cell techniques have been improved to allow access to the multimegabar ultrahigh-pressure region for exploring novel phenomena in condensed matter. However, the only way to determine crystal structures of materials above 100 GPa, namely, X-ray diffraction (XRD), especially for low Z materials, remains nontrivial in the ultrahigh-pressure region, even with the availability of brilliant synchrotron X-ray sources. In this work, we perform a systematic study, choosing hydrogen (the lowest X-ray scatterer) as the subject, to understand how to better perform XRD measurements of low Z materials at multimegabar pressures. The techniques that we have developed have been proved to be effective in measuring the crystal structure of solid hydrogen up to 254 GPa at room temperature [C. Ji et al., Nature 573, 558–562 (2019)]. We present our discoveries and experiences with regard to several aspects of this work, namely, diamond anvil selection, sample configuration for ultrahigh-pressure XRD studies, XRD diagnostics for low Z materials, and related issues in data interpretation and pressure calibration. We believe that these methods can be readily extended to other low Z materials and can pave the way for studying the crystal structure of hydrogen at higher pressures, eventually testing structural models of metallic hydrogen.
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| 2. |
- Mao, Wendy L., et al.
(författare)
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Distortions and stabilization of simple-cubic calcium at high pressure and low temperature
- 2010
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Ingår i: Proceedings of the National Academy of Sciences of the United States of America. - : Proceedings of the National Academy of Sciences. - 0027-8424 .- 1091-6490. ; 107:22, s. 9965-9968
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Tidskriftsartikel (refereegranskat)abstract
- Ca-III, the first superconducting calcium phase under pressure, was identified as simple-cubic (sc) by previous X-ray diffraction (XRD) experiments. In contrast, all previous theoretical calculations showed that sc had a higher enthalpy than many proposed structures and had an imaginary (unstable) phonon branch. By using our newly developed submicrometer high-pressure single-crystal XRD, cryogenic high-pressure XRD, and theoretical calculations, we demonstrate that Ca-III is neither exactly sc nor any of the lower-enthalpy phases, but sustains the sc-like, primitive unit by a rhombohedral distortion at 300 K and a monoclinic distortion below 30 K. This surprising discovery reveals a scenario that the high-pressure structure of calcium does not go to the zero-temperature global enthalpy minimum but is dictated by high-temperature anharmonicity and low-temperature metastability fine-tuned with phonon stability at the local minimum.
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| 3. |
- Wang, Yingqi, et al.
(författare)
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Visualizing Light-Induced Microstrain and Phase Transition in Lead-Free Perovskites Using Time-Resolved X-Ray Diffraction
- 2022
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Ingår i: Journal of the American Chemical Society. - : American Chemical Society (ACS). - 0002-7863 .- 1520-5126. ; 144:12, s. 5335-5341
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Tidskriftsartikel (refereegranskat)abstract
- Metal halide perovskites have emerged as promising materials for optoelectronic applications in the last decade. A large amount of effort has been made to investigate the interplay between the crystalline lattice and photoexcited charge carriers as it is vital to their optoelectronic performance. Among them, ultrafast laser spectroscopy has been intensively utilized to explore the charge carrier dynamics of perovskites, from which the local structural information can only be extracted indirectly. Here, we have applied a time-resolved X-ray diffraction technique to investigate the structural dynamics of prototypical two-dimensional lead-free halide perovskite Cs3Bi2Br9nanoparticles across temporal scales from 80 ps to microseconds. We observed a quick recoverable (a few ns) photoinduced microstrain up to 0.15% and a long existing lattice expansion (∼a few hundred nanoseconds) at mild laser fluence. Once the laser flux exceeds 1.4 mJ/cm2, the microstrain saturates and the crystalline phase partially transfers into a disordered phase. This photoinduced transient structural change can recover within the nanosecond time scale. These results indicate that photoexcitation of charge carriers couples with lattice distortion, which fundamentally affects the dielectric environment and charge carrier transport.
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| 4. |
- Zeng, Qiao-Shi, et al.
(författare)
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Substitutional alloy of Ce and Al
- 2009
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Ingår i: Proceedings of the National Academy of Sciences of the United States of America. - : Proceedings of the National Academy of Sciences. - 0027-8424 .- 1091-6490. ; 106:8, s. 2515-2518
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Tidskriftsartikel (refereegranskat)abstract
- The formation of substitutional alloys has been restricted to elements with similar atomic radii and electronegativity. Using high-pressure at 298 K, we synthesized a face-centered cubic disordered alloy of highly dissimilar elements (large Ce and small Al atoms) by compressing the Ce3Al intermetallic compound > 15 GPa or the Ce3Al metallic glass > 25 GPa. Synchrotron X-ray diffraction, Ce L-3-edge absorption spectroscopy, and ab initio calculations revealed that the pressure-induced Kondo volume collapse and 4f electron delocalization of Ce reduced the differences between Ce and Al and brought them within the Hume-Rothery (HR) limit for substitutional alloying. The alloy remained after complete release of pressure, which was also accompanied by the transformation of Ce back to its ambient 4f electron localized state and reversal of the Kondo volume collapse, resulting in a non-HR alloy at ambient conditions.
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| 5. |
- Ji, Cheng, et al.
(författare)
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Stability of Ar(H2)2 to 358 GPa
- 2017
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Ingår i: Proceedings of the National Academy of Sciences of the United States of America. - : Proceedings of the National Academy of Sciences. - 0027-8424 .- 1091-6490. ; 114:14, s. 3596-3600
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Tidskriftsartikel (refereegranskat)abstract
- "Chemical precompression" through introducing impurity atoms into hydrogen has been proposed as a method to facilitate metallization of hydrogen under external pressure. Here we selected Ar(H-2)(2), a hydrogen-rich compound with molecular hydrogen, to explore the effect of "doping" on the intermolecular interaction of H-2 molecules and metallization at ultrahigh pressure. Ar(H-2)(2) was studied experimentally by synchrotron X-ray diffraction to 265 GPa, by Raman and optical absorption spectroscopy to 358 GPa, and theoretically using the density-functional theory. Our measurements of the optical bandgap and the vibron frequency show that Ar(H-2)(2) retains 2-eV bandgap and H-2 molecular units up to 358 GPa. This is attributed to reduced intermolecular interactions between H-2 molecules in Ar(H-2)(2) compared with that in solid H-2. A splitting of the molecular vibron mode above 216 GPa suggests an orientational ordering transition, which is not accompanied by a change in lattice symmetry. The experimental and theoretical equations of state of Ar(H-2)(2) provide direct insight into the structure and bonding of this hydrogen-rich system, suggesting a negative chemical pressure on H-2 molecules brought about by doping of Ar.
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| 6. |
- Ji, Cheng, et al.
(författare)
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Ultrahigh-pressure isostructural electronic transitions in hydrogen
- 2019
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Ingår i: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 573:7775, s. 558-562
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Tidskriftsartikel (refereegranskat)abstract
- High-pressure transitions are thought to modify hydrogen molecules to a molecular metallic solid and finally to an atomic metal(1), which is predicted to have exotic physical properties and the topology of a two-component (electron and proton) superconducting superfluid condensate(2,3). Therefore, understanding such transitions remains an important objective in condensed matter physics(4,5). However, measurements of the crystal structure of solid hydrogen, which provides crucial information about the metallization of hydrogen under compression, are lacking for most high-pressure phases, owing to the considerable technical challenges involved in X-ray and neutron diffraction measurements under extreme conditions. Here we present a single-crystal X-ray diffraction study of solid hydrogen at pressures of up to 254 gigapascals that reveals the crystallographic nature of the transitions from phase I to phases III and IV. Under compression, hydrogen molecules remain in the hexagonal close-packed (hcp) crystal lattice structure, accompanied by a monotonic increase in anisotropy. In addition, the pressure-dependent decrease of the unit cell volume exhibits a slope change when entering phase IV, suggesting a second-order isostructural phase transition. Our results indicate that the precursor to the exotic two-component atomic hydrogen may consist of electronic transitions caused by a highly distorted hcp Brillouin zone and molecular-symmetry breaking.
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| 7. |
- Li, Nana, et al.
(författare)
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Pressure-Induced Structural and Electronic Transition in Sr2ZnWO6 Double Perovskite
- 2016
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Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 55:13, s. 6770-6775
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Tidskriftsartikel (refereegranskat)abstract
- High-pressure structural and electrical properties of Sr2ZnWO6 double perovskite were investigated using in situ angle-dispersive synchrotron X-ray diffraction (XRD), Raman, and alternating current (AC) impedance spectroscopy. A structural transition from monoclinic (P2(1)/n) to triclinic (P (1) over bar) phase around 9 GPa was observed due to the pressure-induced distortion of (W, Zn)O-6 octahedron. In situ high-pressure Raman spectroscopy showed the increasing interaction among O-W-O in WO6 octahedron with pressure and a transition pressure consistent with the XRD results. From the AC impedance spectroscopy measurements, the resistivity increased steeply by similar to 1 order of magnitude around 11 GPa, indicating an electronic transition accompanying the symmetry change. The increase in the interaction among O-W-O enhances the attraction of O2- electrons toward W6+, thus increasing the covalence, which in turn lowers the charge transfer energy between O2- and W6+ and induces the resistivity increase under high pressure.
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| 8. |
- Li, Nana, et al.
(författare)
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Structural and electronic phase transitions of Co2Te3O8 spiroffite under high pressure
- 2019
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Ingår i: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 99:24
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Tidskriftsartikel (refereegranskat)abstract
- The structural and electronic phase transitions of Co2Te3O8 spiroffite have been studied with a suite of in situ high-pressure characterization techniques including synchrotron x-ray diffraction, Raman, x-ray emission spectroscopy, UV-vis absorption, and electrical transport measurement. Two pressure-induced phase transitions were observed at about 6.9 and 14.4 GPa. The first transition is attributed to a small spin transition of Co along with discontinuity in unit-cell volume change, while the second one represents a first-order phase transition with a volume collapse of 4.5%. The latter transition is accompanied by the relaxation of distortion in CoO6 octahedron, which enhances the crystal-field strength inhibiting the occurrence of spin transition. What is more, the competition between contributions of electrons and oxygen ion to the overall conductivity is observed and affected by the phase transition under high pressure. This demonstration provides insights into the relationship between the lattice-structural and spin degrees of freedom, and highlights the impact of pressure on the control of structural and electronic states of a given material for optimized functionalities.
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| 9. |
- Manoun, B., et al.
(författare)
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Phase transitions in heated Sr2MgTeO6 double perovskite oxide probed by X-ray diffraction and Raman spectroscopy
- 2013
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Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 103:26, s. 261908-
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Tidskriftsartikel (refereegranskat)abstract
- Double-perovskite oxide Sr2MgTeO6 has been synthetized, and its crystal structure was probed by the technique of X-ray diffraction at room temperature. The structure is monoclinic, space group I2/m. Temperature-induced phase transitions in this compound were investigated by Raman spectroscopy up to 550 °C. Two low-wavenumber modes corresponding to external lattice vibrations merge at temperature of around 100 °C, indicating a phase transition from the monoclinic (I2/m) to the tetragonal (I4/m) structure. At 300 °C, changes in the slopes of temperature dependencies of external and O–Te–O bending modes are detected and interpreted as a second phase transition from the tetragonal (I4/m) to the cubic (Fm-3m) structure.
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| 10. |
- Manoun, Bouchaib, et al.
(författare)
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Temperature and nickel substitution effects on the phase transitions in the Sr2Zn1-xNixWO6 ( 0 <= x <= 1) double perovskite
- 2016
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Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 689, s. 233-245
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Tidskriftsartikel (refereegranskat)abstract
- Sr2Zn1-xNixWO6 solid solutions (with 0 <= x <= 1) have been synthesized by solid-state reactions, and characterized by X-Ray diffraction and Raman spectroscopy. The X-Ray powder diffraction (XRD) data at room temperature shows a systematical change of structure vs. nickel content: the compound adopts a monoclinic phase with a P2(1)/n space group with 0 <= x <= 0.18, a tetragonal structure with a I4/m space group with x = 0.25, and a tetragonal structure with a I4/mmm space group with 0.5 <= x <= 1. Further in-situ Raman study at elevated temperature (up to 555 degrees C) shows the pristine monoclinic phase (0 <= x <= 0.18) follows the phase path: monoclinic (P2(1)/n) -> tetragonal (I4/m) -> tetragonal (I4/ mmm) -> cubic (Fm (3) over barm); for the compound Sr2Zn0.75Ni0.25WO6, it involves later two phase transitions as tetragonal (I4/m) -> tetragonal (I4/mmm) -> cubic (Fm (3) over barm); and for the 0.5 <= x <= 1 compounds, only one phase transition I4/mmm to Fm (3) over barm was observed. The combined investigation of composition and temperature provides us a complete understanding of chemical substitution and temperature effect on structural phase transition.
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