Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Fe
intermetallic compoundCao, Y.*; Zhou, H.*; Khmelevskyi, S.*; Lin, K.*; Avdeev, M.*; Wang, C.-W.*; Wang, B.*; Hu, F.*; Kato, Kenichi*; Hattori, Takanori; et al.
Chemistry of Materials, 35(8), p.3249 - 3255, 2023/04
Times Cited Count：1 Percentile：45.8(Chemistry, Physical)Hydrostatic and chemical pressure are efficient stimuli to alter the crystal structure and are commonly used for tuning electronic and magnetic properties in materials science. However, chemical pressure is difficult to quantify and a clear correspondence between these two types of pressure is still lacking. Here, we study intermetallic candidates for a permanent magnet with a negative thermal expansion (NTE). Based on in situ synchrotron X-ray diffraction, negative chemical pressure is revealed in HoFe on Al doping and quantitatively evaluated by using temperature and pressure dependence of unit cell volume. A combination of magnetization and neutron diffraction measurements also allowed one to compare the effect of chemical pressure on magnetic ordering with that of hydrostatic pressure. Intriguingly, pressure can be used to control suppression and enhancement of NTE. Electronic structure calculations indicate that pressure affected the top of the majority band with respect to the Fermi level, which has implications for the magnetic stability, which in turn plays a critical role in modulating magnetism and NTE. This work presents a good example of understanding the effect of pressure and utilizing it to control properties of functional materials.
Jiang, X.*; Hattori, Takanori; Xu, X.*; Li, M.*; Yu, C.*; Yu, D.*; Mole, R.*; Yano, Shinichiro*; Chen, J.*; He, L.*; et al.
Materials Horizons, 10(3), p.977 - 982, 2023/03
Times Cited Count：6 Percentile：88.89(Chemistry, Multidisciplinary)As a promising environment-friendly alternative to current vapor-compression refrigeration, solid-state refrigeration based on the barocaloric effect has been attracting world wide attention. Generally, both phases in which a barocaloric effect occurs are present at ambient pressure. Here, instead, we demonstrate that KPF
exhibits a colossal barocaloric effect due to the creation of a high-pressure rhombohedral phase. The phase diagram is constructed based on pressure-dependent calorimetric, Raman scattering, and neutron diffraction measurements. The present study is expected to provide an alternative routine to colossal barocaloric effects through the creation of a high-pressure phase.
Yamashita, Keishiro*; Komatsu, Kazuki*; Klotz, S.*; Fabelo, O.*; Fern
ndez-D
az, M. T.*; Abe, Jun*; Machida, Shinichi*; Hattori, Takanori; Irifune, Tetsuo*; Shimmei, Toru*; et al.
Proceedings of the National Academy of Sciences of the United States of America, 119(40), p.e2208717119_1 - e2208717119_6, 2022/10
Times Cited Count：2 Percentile：20.4(Multidisciplinary Sciences)Here we present the first elucidation of the disordered structure of ice VII, the dominant high-pressure form of water, at 2.2 GPa and 298 K from both single-crystal and powder neutron diffraction techniques. We reveal the three-dimensional atomic distributions from the maximum entropy method and unexpectedly find a ring-like distribution of hydrogen in contrast to the commonly-accepted discrete sites. In addition, total scattering analysis at 274 K clarified the difference in the intermolecular structure from ice VIII, the ordered counterpart of ice VII, despite an identical molecular geometry. Our complementary structure analyses robustly demonstrate the unique disordered structure of ice VII. Furthermore, these noble findings are related to the proton dynamics which drastically vary with pressure, and will contribute to an understanding of the structural origin of anomalous physical properties of ice VII under pressures.
Wang, X.*; Tang, X.*; Zhang, P.*; Wang, Y.*; Gao, D.*; Liu, J.*; Hui, K.*; Wang, Y.*; Dong, X.*; Hattori, Takanori; et al.
Journal of Physical Chemistry Letters (Internet), 12(50), p.12055 - 12061, 2021/12
Times Cited Count：6 Percentile：50.99(Chemistry, Physical)Substituted polyacetylene is expected to improve the chemical stability, physical properties, and additional functions of the polyacetylene backbones, but its diversity is very limited. Here, by applying external pressure on solid acetylenedicarboxylic acid, we report the first crystalline poly-dicarboxylacetylene with every carbon on the trans-polyacetylene backbone bonded to a carboxyl group, which is very hard to synthesize by traditional methods. This unique structure combines the extremely high content of carbonyl groups and high conductivity of a polyacetylene backbone, which exhibits a high specific capacity and excellent cycling/rate performance as a Li-ion battery (LIB) anode. We present a completely functionalized crystalline polyacetylene and provide a high-pressure solution for the synthesis of polymeric LIB materials and other polymeric materials with a high content of active groups.
Klotz, S.*; Baptiste, B.*; Hattori, Takanori; Feng, S. M.*; Jin, Ch.*; B
neut, K.*; Guigner, J. M.*; Est
ve, I.*
Carbon, 185, p.491 - 500, 2021/11
Times Cited Count：1 Percentile：6.01(Chemistry, Physical)Carbon disulphide (CS) is one of the simplest molecular systems made of double covalent bonds. Under high pressure, the molecular structure is expected to break up to form extended crystalline or polymeric solids. Here we show that by compression at 300 K to approximately 
10 GPa using large-volume high pressure techniques, an instantaneous reaction leads to a mixture of pure sulphur and a well-defined compound with stoichiometry close to CS which can be recovered to ambient pressure. We present neutron and X-ray diffraction as well as Raman data which show that this material consists of sulphur bonded to sp
graphite layers of nanometric dimensions. The compound is a semiconductor with a gap of 45 meV, as revealed by temperature dependent resistivity measurements, and annealing at temperatures above 200
C allow to reduce its sulphur content up to C
S. Its structural and electronic properties are fundamentally different to "Bridgman black" reported from previous high pressure experiments on CS.
Zhang, P.*; Tang, X.*; Wang, Y.*; Wang, X.*; Gao, D.*; Li, Y.*; Zheng, H.*; Wang, Y.*; Wang, X.*; Fu, R.*; et al.
Journal of the American Chemical Society, 142(41), p.17662 - 17669, 2020/10
Times Cited Count：21 Percentile：73.83(Chemistry, Multidisciplinary)Solid-state topochemical polymerization (SSTP) is a promising method to construct functional crystalline polymeric materials, but in contrast to various reactions that happen in solution, only very limited types of SSTP reactions are reported. Diels-Alder (DA) and dehydro-DA (DDA) reactions are textbook reactions for preparing six-membered rings in solution but are scarcely seen in solid-state synthesis. Here, using multiple cutting-edge techniques, we demonstrate that the solid 1,4-diphenylbutadiyne (DPB) undergoes a DDA reaction under 10-20 GPa with the phenyl as the dienophile. The crystal structure at the critical pressure shows that this reaction is "distance-selected". The distance of 3.2
between the phenyl and the phenylethynyl facilitates the DDA reaction, while the distances for other DDA and 1,4-addition reactions are too large to allow the bonding. The obtained products are crystalline armchair graphitic nanoribbons, and hence our studies open a new route to construct the crystalline carbon materials with atomic-scale control.
Tokunaga, Yo; Aoki, Dai*; Mayaffre, H.*; Kr
mer, S.*; Julien, M.-H.*; Berthier, C.*; Horvati
, M.*; Sakai, Hironori; Kambe, Shinsaku; Hattori, Taisuke; et al.
JPS Conference Proceedings (Internet), 30, p.011037_1 - 011037_6, 2020/03
The field-angular dependence of Co-NMR spin-lattice relaxation rate 
has been measured for a 10% Co-doped single crystal of URhGe. The experiment revealed that spin fluctuations in ferromagnetic (FM) state of URhGe are robust against magnetic field below about 4 T, applied along any direction in the 
crystal plane. This is in clear contrast with the sister compound UCoGe, in which FM spin fluctuations are rapidly suppressed by a tiny applied field along the 
axis. We show that such a difference in the character of the spin fluctuations is reflected in their two distinct phase diagrams for the upper critical field 
, providing further support to the mechanism of superconductivity mediated by spin fluctuations in these materials.
to 34 GPaKlotz, S.*; Casula, M.*; Komatsu, Kazuki*; Machida, Shinichi*; Hattori, Takanori
Physical Review B, 100(2), p.020101_1 - 020101_5, 2019/07
Times Cited Count：11 Percentile：52.56(Materials Science, Multidisciplinary)Ytterbium dihydride (YbH) shows a well-known transition at 
16 GPa from a CaH-type structure to a high-pressure (high-
) phase with Yb at hcp sites and unknown H-positions. Here, we report its complete structure determination by neutron diffraction at 34 GPa. Hydrogen(deuterium) is located at 2
and 2
positions of space group 
, thus forming a high-symmetry "collapsed" close-packed lattice. The transition is sluggish and can be seen as a transfer of 1/2 of the hydrogen atoms from strongly corrugated H-layers to interstitial sites of the Yb-lattice. We demonstrate by first-principles calculations that the transition is related to a change from a completely filled 
-electron configuration to a fractional -hole (0.25 h) occupation in the high- phase. The 
charge transfer closes the gap at the transition and leads to a metallic ground state with sizeable electron-phonon interaction involving out-of-plane vibrational modes of interstitial hydrogen.
; Pulsed-field NMR study on single crystals up to 56 TTokunaga, Yo; Orlova, A.*; Bruyant, N.*; Aoki, Dai*; Mayaffre, H.*; Krmer, S.*; Julien, M.-H.*; Berthier, C.*; Horvati, M.*; Higa, Nonoka; et al.
Physical Review B, 99(8), p.085142_1 - 085142_5, 2019/02
Times Cited Count：6 Percentile：32.35(Materials Science, Multidisciplinary)The heavy-fermion antiferromagnet CeIn exhibits a field-induced anomaly associated with Fermi surface reconstruction at 
45 T, well below the antiferromagnetic (AFM) critical field that exceeds 60 T. In order to explore the origin of this anomaly, we have measured 
In NMR spectra in pulsed magnetic fields up to 56 T using high-quality single crystals. To within experimental resolution, we do not detect any change in the NMR spectra that could suggest a modification in either the character of the hyperfine field or the electric field gradient at In sites through 
. This strongly suggests that the 45 T anomaly cannot be simply ascribed to a field-induced change in the magnetic structure of the AFM state.
-AlOOH under mantle conditions using neutron diffractionSano, Asami; Hattori, Takanori; Komatsu, Kazuki*; Kagi, Hiroyuki*; Nagai, Takaya*; Molaison, J. J.*; Dos Santos, A. M.*; Tulk, C. A.*
Scientific Reports (Internet), 8(1), p.15520_1 - 15520_9, 2018/10
Times Cited Count：44 Percentile：92.04(Multidisciplinary Sciences)The pressure response of hydrogen bond in aluminous hydroxide -AlOOH, which is an important candidate for water carrier to the deep Earth in a subducting slab, was investigated using neutron diffraction under high pressure. The symmetrization of hydrogen bond in which hydrogen locates at the center between two oxygen atoms was observed directly for the first time. The present result indicates that the changes of mineral properties such as increase in bulk modulus and sound velocities, which were previously found, were induced by the symmetrization and disorder state that was also found at just below the symmetrization pressure. Even the symmetrization is a small change in the hydrogen location but it is playing an important role in determining the physical properties of minerals.
Chanyshev, A. D.*; Litasov, K. D.*; Rashchenko, S.*; Sano, Asami; Kagi, Hiroyuki*; Hattori, Takanori; Shatskiy, A. F.*; Dymshits, A. M.*; Sharygin, I. S.*; Higo, Yuji*
Crystal Growth & Design, 18(5), p.3016 - 3026, 2018/05
Times Cited Count：20 Percentile：84.66(Chemistry, Multidisciplinary)The high-temperature structural properties of solid benzene were studied at 1.5-8.2 GPa up to melting or decomposition using multi-anvil apparatus and in situ neutron and X-ray diffraction. The crystal structure of deuterated benzene phase II (P2
/c unit cell) was refined at 3.6-8.2 GPa and 473-873 K. Our data show a minor temperature effect on the change in the unit cell parameters of deuterated benzene at 7.8-8.2 GPa. At 3.6-4.0 GPa, we observed the deviation of deuterium atoms from the benzene ring plane and minor zigzag deformation of the benzene ring, enhancing with the temperature increase caused by the displacement of benzene molecules and decrease of van der Waals bond length between the 
-conjuncted carbon skeleton and the deuterium atom of adjacent molecule. Deformation of benzene molecule at 723-773 K and 3.9-4.0 GPa could be related to the benzene oligomerization at the same conditions. In the pressure range of 1.5-8.2 GPa, benzene decomposition was defined between 773-923 K. Melting was identified at 2.2 GPa and 573 K. Quenched products analyzed by Raman spectroscopy consist of carbonaceous material. The defined benzene phase diagram appears to be consistent with those of naphthalene, pyrene, and coronene at 1.5-8 GPa.
H-CF cocrystal under extreme conditionsWang, Y.*; Wang, L.*; Zheng, H.*; Li, K.*; Andrzejewski, M.*; Hattori, Takanori; Sano, Asami; Katrusiak, A.*; Meng, Y.*; Liao, F.*; et al.
Journal of Physical Chemistry C, 120(51), p.29510 - 29519, 2016/12
Times Cited Count：23 Percentile：60.41(Chemistry, Physical)Pressure-induced polymerization (PIP) of aromatic molecules can generate saturated carbon nanostructures. As a strongly interacted - stacking unit, the CH-CF adduct is widely applied in supramolecular chemistry, and it provides a good preorganization for the PIP. Here we investigated the structural variation of CH-CF cocrystal and the subsequent PIP process under high pressure. Four new molecular-complex phases V, VI, VII, and VIII have been identified and characterized by the in situ Raman, IR, synchrotron X-ray, and neutron diffraction. The phase V is different from the phases observed at low temperature, which has a tilted column structure. Phases VI and VII have a structure similar to phase V. Phase VIII polymerizes irreversibly upon compression above 25 GPa without any catalyst, producing sp
(CH/F)
materials. The - interaction is still dominant below 0.5 GPa but is most likely to be overstepped under further compression, which is important for discussing the supramolecular phase transition and the polymerization process.
Tokunaga, Yo; Aoki, Dai*; Mayaffre, H.*; Krmer, S.*; Julien, M.-H.*; Berthier, C.*; Horvati, M.*; Sakai, Hironori; Hattori, Taisuke; Kambe, Shinsaku; et al.
Physical Review B, 93(20), p.201112_1 - 201112_5, 2016/05
Times Cited Count：14 Percentile：54.58(Materials Science, Multidisciplinary)The ferromagnetic superconductor URhGe has been known to exhibit an extremely large enhancement of the upper critical field when the field is confined and rotated in the (
) crystal plane. Our high-field 
Co NMR measurements on 10% Co-doped URhGe up to 30 T prove that this unconventional behavior of the superconductivity (SC) is associated with a strong anisotropy of field-dependent quantum fluctuations near a tricritical point. These fluctuations are rapidly suppressed by the field component along the axis, while being unaffected by any field component along the axis. The observed close interplay between the SC and quantum fluctuations strongly supports a pairing mechanism mediated by these fluctuations in URhGe.
Tokunaga, Yo; Aoki, Dai*; Mayaffre, H.*; Krmer, S.*; Julien, M.-H.*; Berthier, C.*; Horvati, M.*; Sakai, Hironori; Kambe, Shinsaku; Hattori, Taisuke; et al.
Journal of Physics; Conference Series, 683(1), p.012010_1 - 012010_6, 2016/02
Times Cited Count：0 Percentile：0.03(Materials Science, Multidisciplinary)Metamagnetism is in itself quite interesting phenomena, especially in a system with itinerant f-electrons. Unconventional states observed in the vicinity of the metamagnetic transition have been the subject of a number of recent publications. The object of this study is to elucidate the interplay between superconductivity and metamagnetism in URhGe. The nature of the metamagnetism becomes particularly important in ferromagnetic superconductors URhGe and UCoGe, since it is likely related to the pairing mechanism for their unconventional superconductivity. Here we report the result of our Co-NMR study on URh
Co
Ge and discuss the origin of the field induced superconducting phenomenon observed in high fields around 12 T.
Fe(CN) accompanied with enhanced conductivityLi, K.*; Zheng, H.*; Hattori, Takanori; Sano, Asami; Tulk, C. A.*; Molaison, J.*; Feygenson, M.*; Ivanov, I. N.*; Yang, W.*; Mao, H.-K.*
Inorganic Chemistry, 54(23), p.11276 - 11282, 2015/12
Times Cited Count：5 Percentile：25.67(Chemistry, Inorganic & Nuclear)Pressure-induced polymerization of triple bonds would produce conductive conjugated double bonds. To find a metal cyanide with a low polymerization pressure, anhydrous LiFe(CN) is synthesized and its crystal structure is determined. The irreversible bonding between the CN
can be realized by use of the industrial apparatus. The conductivity is enhanced by more than 3 orders of magnitude, which makes the polymerized LiFe(CN) a potential cathode material for rechargeable lithium batteries.
Brazhkin, V. V.*; Katayama, Yoshinori; Kondrin, M. V.*; Hattori, Takanori; Lyapin, A. G.*; Saito, Hiroyuki
Physical Review Letters, 100(14), p.145701_1 - 145701_4, 2008/04
Times Cited Count：44 Percentile：83.88(Physics, Multidisciplinary)An 
high-temperature high-pressure X-ray diffraction, resistivity measurements, and quenching from melt were performed on liquid chalcogenide AsS. The obtained data provide direct evidence for the existence three forms in the melt under compression: one is a moderate viscosity molecular liquid, the second one is a high-viscosity nonmetallic polymerized liquid and the third one is a low-viscosity metallic liquid. The two transformations occur at P 1.6-2.2 GPa and at P 4.6-4.8 GPa. Upon rapid cooling, molecular and metallic liquids crystallize to normal and high-pressure phases, respectively, while a polymerized liquid is easily quenched to a new AsS glass. General aspects of multiple phase transitions in liquid AsS, including relations to the phase diagram of the respective crystalline, are discussed.
Nishikawa, Hiroyuki*; Souno, T.*; Hattori, M.*; Oki, Y.*; Watanabe, E.*; Oikawa, Masakazu*; Arakawa, Kazuo; Kamiya, Tomihiro
JAERI-Review 2003-033, TIARA Annual Report 2002, p.254 - 256, 2003/11
no abstracts in English
Nishikawa, Hiroyuki*; Souno, T.*; Hattori, M.*; Nishihara, Y.*; Oki, Y.*; Watanabe, E.*; Oikawa, Masakazu*; Kamiya, Tomihiro; Arakawa, Kazuo
Nuclear Instruments and Methods in Physics Research B, 191(1-4), p.342 - 345, 2002/05
Times Cited Count：3 Percentile：24.4(Instruments & Instrumentation)no abstracts in English
Bin Mohd Nor, M. S.*; Hattori, Shuji*; Tsukimori, Kazuyuki; Yada, Hiroki
no journal, ,
no abstracts in English
Co)Ge, 3Tokunaga, Yo; Aoki, Dai*; Mayaffre, H.*; Krmer, S.*; Julien, M.-H.*; Berthier, C.*; Horvati, M.*; Hattori, Taisuke; Sakai, Hironori; Kambe, Shinsaku; et al.
no journal, ,
no abstracts in English
