| 1. |
- Bagatskii, M.I., et al.
(författare)
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The low-temperature heat capacity of fullerite C60
- 2015
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Ingår i: Low temperature physics (Woodbury, N.Y., Print). - : American Institute of Physics (AIP). - 1063-777X .- 1090-6517. ; 41:8, s. 630-636
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Tidskriftsartikel (refereegranskat)abstract
- The heat capacity at constant pressure of fullerite C60 has been investigated using an adiabatic calorimeter in a temperature range from 1.2 to 120 K. Our results and literature data have been analyzed in a temperature interval from 0.2 to 300 K. The contributions of the intramolecular and lattice vibrations into the heat capacity of C60 have been separated. The contribution of the intramolecular vibration becomes significant above 50 K. Below 2.3K the experimental temperature dependence of the heat capacity of C60 is described by the linear and cubic terms. The limiting Debye temperature at T → 0 K has been estimated (Θ0=84.4 K). In the interval from 1.2 to 30K the experimental curve of the heat capacity of C60 describes the contributions of rotational tunnel levels, translational vibrations (in the Debye model with Θ0=84.4 K), and librations (in the Einstein model with ΘE,lib=32.5 K). It is shown that the experimental temperature dependences of heat capacity and thermal expansion are proportional in the region from 5 to 60K. The contribution of the cooperative processes of orientational disordering becomes appreciable above 180 K. In the high-temperature phase the lattice heat capacity at constant volume is close to 4.5 R, which corresponds to the high-temperature limit of translational vibrations (3 R) and the near-free rotational motion of C60 molecules (1.5 R).
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| 2. |
- Cheng, Benyuan, et al.
(författare)
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Pressure-induced metallization and amorphization in VO2(A) nanorods
- 2016
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 93:18
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Tidskriftsartikel (refereegranskat)abstract
- A metallic state enabled by the metal-insulator transition (MIT) in single crystal VO2(A) nanorods is demonstrated, which provides important physical foundation in experimental understanding of MIT in VO2. The observed tetragonal metallic state at ∼28 GPa should be interpreted as a distinct metastable state, while increasing pressure to ∼32 GPa, it transforms into a metallic amorphous state completely. The metallization is due to V 3d orbital electrons delocalization, and the amorphization is attributed to the unique variation of V-O-V bond angle. A metallic amorphous VO2 state is found under pressure, which is beneficial to explore the phase diagram of VO2. Furthermore, this work proves the occurrence of both the metallization and amorphization in octahedrally coordinated materials.
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| 3. |
- Cui, Jinxing, et al.
(författare)
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Structural Deformation of Sm@C88under High Pressure
- 2015
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Ingår i: Scientific Reports. - : Nature Publishing Group. - 2045-2322. ; 5
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Tidskriftsartikel (refereegranskat)abstract
- We have studied the structural transformation of Sm@C88 under pressure up to 18 GPa by infraredspectroscopy combined with theoretical simulations. The infrared-active vibrational modes of Sm@C88 at ambient conditions have been assigned for the first time. Pressure-induced blue and red shiftsof the corresponding vibrational modes indicate an anisotropic deformation of the carbon cage uponcompression. We propose that the carbon cage changes from ellipsoidal to approximately sphericalaround 7 GPa. A smaller deformation of the carbon bonds in the area close to the Sm atom in thecage suggests that the trapped Sm atom plays a role in minimizing the compression of the adjacentbonds. Pressure induced a significant reduction of the band gap of the crystal. The HOMO-LUMOgap of the Sm@C88 molecule decreases remarkably at 7 GPa as the carbon cage is deformed. Also,compression enhances intermolecular interactions and causes a widening of the energy bands. Botheffects decrease the band gap of the sample. The carbon cage deforms significantly above 7 GPa,from spherical to a peanut-like shape and collapses at 18 GPa.
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| 4. |
- Cui, Wen, et al.
(författare)
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High pressure and high temperature induced polymerization of doped C60 materials
- 2016
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Ingår i: Carbon. - : Elsevier. - 0008-6223 .- 1873-3891. ; 109, s. 269-275
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Tidskriftsartikel (refereegranskat)abstract
- Several metastable doped C60 polymers are synthesized under high pressure and high temperature (1.5GPa, 573K and 2GPa, 700K, respectively), using C60/ferrocene (Fc, Fe(C5H5)2), C60/Ni(OEP) and C60/AgNO3 as starting materials. Raman and IR spectroscopy are used to study the polymerization of these samples after HPHT treatment. It is found that the polymerization degree is always lower than that of pure C60 treated at same conditions, which is attributed to the space limitation by the dopants. We also find that even at same conditions, the three doped materials form different polymeric phases of the doped materials. This is attributed to the unique initial lattice structures and the different degrees of spatial confinement provided by the dopants.
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| 5. |
- Cui, Wen, et al.
(författare)
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Pressure induced metastable polymerization in doped C60 materials
- 2017
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Ingår i: Carbon. - : Elsevier. - 0008-6223 .- 1873-3891. ; 115, s. 740-745
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Tidskriftsartikel (refereegranskat)abstract
- High pressure Raman studies have been carried out on C60/AgNO3 and C60/Ni(OEP) up to 30 GPa. In both these doped C60 materials, pressure-induced metastable ordered polymers can be observed after pressure release. The results show that both the quenched materials contain chainlike polymers and dimers. We also find that the degree of polymerization is higher in these doped C60 materials than in bulk C60 materials after similar high pressure treatment and that C60/AgNO3 contains a higher fraction of chainlike polymers than C60/Ni(OEP) after decompression from same pressure. The results can be understood by considering the different initial lattice structures of these materials and the confinement effects of the dopants.
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| 6. |
- Du, Mingrun, et al.
(författare)
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High pressure infrared spectroscopy study on C60*CS2 solvates
- 2017
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Ingår i: Chemical Physics Letters. - : Elsevier. - 0009-2614 .- 1873-4448. ; 669, s. 49-53
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Tidskriftsartikel (refereegranskat)abstract
- High pressure IR study has been carried out on C-60*CS2 solvates up to 34.8 GPa. It is found that the intercalated CS2 molecules significantly affect the transformations of C-60 molecules under pressure. As a probe, the intercalated CS2 molecules can well detect the orientational ordering transition and deformation of C-60 molecules under pressure. The chemical stability of CS2 molecules under pressure is also dramatically enhanced due to the spacial shielding effet from C-60 molecules around in the solvated crystal. These results provide new insight into the effect of interactions between intercalants and fullerenes on the transformations in fullerene solvates under pressure.
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| 7. |
- Du, Mingrun, et al.
(författare)
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New ordered structure of amorphous carbon clusters induced by fullerene-cubane reactions
- 2018
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Ingår i: Advanced Materials. - : Wiley-VCH Verlagsgesellschaft. - 0935-9648 .- 1521-4095. ; 30
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Tidskriftsartikel (refereegranskat)abstract
- As a new category of solids, crystalline materials constructed with amorphous building blocks expand the structure categorization of solids, for which designing such new structures and understanding the corresponding formation mechanisms are fundamentally important. Unlike previous reports, new amorphous carbon clusters constructed ordered carbon phases are found here by compressing C8H8/C60 cocrystals, in which the highly energetic cubane (C8H8) exhibits unusual roles as to the structure formation and transformations under pressure. The significant role of C8H8 is to stabilize the boundary interactions of the highly compressed or collapsed C60 clusters which preserves their long‐range ordered arrangement up to 45 GPa. With increasing time at high pressure, the gradual random bonding between C8H8 and carbon clusters, due to “energy release” of highly compressed cubane, leads to the loss of the ability of C8H8 to stabilize the carbon cluster arrangement. Thus a transition from short‐range disorder to long‐range disorder (amorphization) occurs in the formed material. The spontaneous bonding reconstruction most likely results in a 3D network in the material, which can create ring cracks on diamond anvils.
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| 8. |
- Huang, Xiaoli, et al.
(författare)
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High-temperature superconductivity in sulfur hydride evidenced by alternating-current magnetic susceptibility
- 2019
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Ingår i: National Science Review. - : Oxford University Press. - 2095-5138 .- 2053-714X. ; 6:4, s. 713-718
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Tidskriftsartikel (refereegranskat)abstract
- The search for high-temperature superconductivity is one of the research frontiers in physics. In the sulfur hydride system, an extremely high Tc (∼200 K) has been recently developed at pressure. However, the Meissner effect measurement above megabar pressures is still a great challenge. Here, we report the superconductivity identification of sulfur hydride at pressure, employing an in situ alternating-current magnetic susceptibility technique. We determine the superconducting phase diagram, finding that superconductivity suddenly appears at 117 GPa and Tc reaches 183 K at 149 GPa before decreasing monotonically with increasing pressure. By means of theoretical calculations, we elucidate the variation of Tc in the low-pressure region in terms of the changing stoichiometry of sulfur hydride and the further decrease in Tc owing to a drop in the electron–phonon interaction parameter λ. This work provides a new insight into clarifying superconducting phenomena and anchoring the superconducting phase diagram in the hydrides.
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| 9. |
- Inaba, Akira, et al.
(författare)
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Calorimetric measurements on Li4C60 and Na4C60
- 2015
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Ingår i: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 142:16
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Tidskriftsartikel (refereegranskat)abstract
- We show specific heat data for Na4C60 and Li4C60 in the range 0.4-350 K for samples characterized by Raman spectroscopy and X-ray diffraction. At high temperatures, the two different polymer structures have very similar specific heats both in absolute values and in general trend. The specific heat data are compared with data for undoped polymeric and pristine C60. At high temperatures, a difference in specific heat between the intercalated and undoped C60 polymers of 100 J K−1 mol−1 is observed, in agreement with the Dulong-Petit law. At low temperatures, the specific heat data for Li4C60 and Na4C60 are modified by the stiffening of vibrational and librational molecular motion induced by the polymer bonds. The covalent twin bonds in Li4C60 affect these motions to a somewhat higher degree than the single intermolecular bonds in Na4C60. Below 1 K, the specific heats ofboth materials become linear in temperature, as expected from the effective dimensionality of the structure. The contribution to the total specific heat from the inserted metal ions can be well described by Einstein functions with TE = 386 K for Li4C60 and TE = 120 K for Na4C60, but for both materials we also observe a Schottky-type contribution corresponding to a first approximation to a two-level system with ΔE = 9.3 meV for Li4C60 and 3.1 meV for Na4C60, probably associated with jumps between closely spaced energy levels inside “octahedral-type” ionic sites. Static magnetic fields up to 9 T had very small effects on the specific heat below 10 K.
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| 10. |
- Johari, G. P., et al.
(författare)
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Instability and thermal conductivity of pressure-densified and elastically altered orientational glass of Buckminsterfullerene
- 2018
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Ingår i: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 148:14
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Tidskriftsartikel (refereegranskat)abstract
- We report on the temperature, pressure and time (T, p and t)- dependent features of thermal conductivity, k, of partially ordered, non-equilibrium state of C60-OG, the orientational glass of Buckminsterfullerene (at T below the orientational freezing temperature Tog) made more unstable (i) by partially depressurizing its high-p formed state to elastically expand it, and (ii) by further pressurizing that state to elastically contract it. The sub-Tog effects observed on heating of C60-OG differ from those of glasses, because phonon propagation depends on the ratio of two well-defined orientational states of C60 molecules and the density of the solid. A broad peak-like feature appears at T near Tog in the k-T plots of C60-OG formed at 0.7 and heated at 0.2 GPa, which we attribute to partial overlap of the sub-Tog and Tog features. A sub-Tog local minimum appears in the k -T plots at T well below Tog of C60-OG formed at 0.1 GPa and heated at 0.5 GPa, and corresponds to the state of maximum disorder. Although Buckminsterfullerene is regarded as an orientationally-disordered crystal, variation of its properties with T and p is qualitatively different from other such crystals. We discuss the findings in terms of the nature of its disorder, sensitivity of its rotational dynamics to temperature and the absence of the Johari-Goldstein relaxation. All seem to affect the phenomenology of its glass-like transition.
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