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Cao, T.*; Wei, D.*; Gong, W.; Kawasaki, Takuro; Harjo, S.; 10 of others*
Materials Science and Engineering A, 940, p.148534_1 - 148534_16, 2025/09
Yamashita, Takayuki*; Koga, Norimitsu*; Mao, W.*; Gong, W.; Kawasaki, Takuro; Harjo, S.; Fujii, Hidetoshi*; Umezawa, Osamu*
Materials Science and Engineering A, 941, p.148602_1 - 148602_11, 2025/09
Times Cited Count:0Gu, G. H.*; Jeong, S. G.*; Heo, Y.-U.*; Harjo, S.; Gong, W.; Cho, J.*; Kim, H. S.*; 4 of others*
Journal of Materials Science & Technology, 223, p.308 - 324, 2025/07
Times Cited Count:0 Percentile:0.00(Materials Science, Multidisciplinary)Mao, W.*; Gong, W.; Kawasaki, Takuro; Gao, S.*; Ito, Tatsuya; Yamashita, Takayuki*; Harjo, S.; Zhao, L.*; Wang, Q.*
Scripta Materialia, 264, p.116726_1 - 116726_6, 2025/07
Times Cited Count:0 Percentile:0.00(Nanoscience & Nanotechnology)Park, M.-H.*; Shibata, Akinobu*; Harjo, S.; Tsuji, Nobuhiro*
Acta Materialia, 292, p.121061_1 - 121061_13, 2025/06
Times Cited Count:1 Percentile:84.88(Materials Science, Multidisciplinary)Ohashi, Tomonori*; Sakamaki, Tatsuya*; Funakoshi, Kenichi*; Steinle-Neumann, G.*; Hattori, Takanori; Yuan, L.*; Suzuki, Akio*
Journal of Mineralogical and Petrological Sciences (Internet), 120(1), p.240926a_1 - 240926a_13, 2025/06
We explore the structures of dry and hydrated (HO and D
O) Na
Si
O
melt at 0-6 GPa and 1000-1300 K and glasses recovered from high pressure and temperatures by in-situ neutron and X-ray diffraction. The structures of the melts at 0-10 GPa and 3000 K are also investigated by ab-initio molecular dynamics simulation. In-situ neutron experiments revealed that the D-O distance increases with compression due to the formation of -O-D-O- bridging species, which is reproduced by the molecular dynamics simulations. The pressure-induced -O-D-O- formation reflects a more rigid incorporation of hydrogen, which acts as a mechanism for the experimentally observed higher solubility of water in silicate melts. Together with shrinking modifier domains, this process dominates the compression behavior of hydrous Na
Si
O
melt, whereas the compression of dry Na
Si
O
at 0-10 GPa and 3000 K is governed largely by bending of the Si-O-Si angle. The molecular dynamics simulations on hydrous Na
Si
O
melts further suggest that the sodium ions are scavenged from its network-modifying role via 2(
Si-O
+ Na
)
Si-(O-
Si-O)
+ 2Na
and Si-O
+ Na
+ Si-OH
Si-(O-H-O-Si)
+ Na
with increasing pressure.
Machida, Akihiko*; Saito, Hiroyuki*; Aoki, Katsutoshi*; Komatsu, Kazuki*; Hattori, Takanori; Sano, Asami; Funakoshi, Kenichi*; Machida, Shinichi*; Sato, Toyoto*; Orimo, Shinichi*
Physical Review B, 111(22), p.224413_1 - 224413_6, 2025/06
Times Cited Count:1The crystal and magnetic structures of antiferromagnetic Mn deuterides formed by hydrogenating Mn metal at high temperature and high pressure, fcc -MnDx and hcp
-MnDx, were investigated by in-situ neutron powder diffraction. Deuterium atoms partially occupied the octahedral interstitial positions of the fcc and hcp metal lattices. The site occupancies increased rapidly with decreasing temperature from
700 to
450 K and remained down to 300 K. N
el temperature of 543(10) K was determined for
-MnD
. For
-MnD
, saturation magnetic moment and N
el temperature were determined to be 0.82(1)
and 347(3) K, respectively. The N
el temperatures determined for
-MnD
and
-MnD
are consistent with those predicted by the respective Slater-Pauling curves proposed in previous studies. The updated N
el temperatures provide insights into the development of more accurate Slater-Pauling curves based on electronic band structure calculations.
Tomota, Yo*; Harjo, S.; Xu, P. G.; Morooka, Satoshi; Gong, W.; Wang, Y.*
Metals, 15(6), p.610_1 - 610_19, 2025/05
Times Cited Count:0Beyer, D. C.*; Spektor, K.*; Vekilova, O. Y.*; Grins, J.*; Barros Brant Carvalho, P. H.*; Leinbach, L. J.*; Sannemo-Targama, M.*; Bhat, S.*; Baran, V.*; Etter, M.*; et al.
ACS Omega (Internet), 10(15), p.15029 - 15035, 2025/04
Times Cited Count:0 Percentile:0.00(Chemistry, Multidisciplinary)Hydridosilicates featuring SiH octahedral moieties represent a rather new class of compounds with potential properties relating to hydrogen storage and hydride ion conductivity. Here, we report on the new representative BaSiH
obtained from reacting the Zintl phase hydride BaSiH
with H
fluid at pressures above 4 GPa and subsequent decompression to ambient pressure. It consists of complex SiH
ions, which are octahedrally coordinated by Ba
counterions. The arrangement of Ba and Si atoms deviates only slightly from an ideal fcc NaCl structure. IR and Raman spectroscopy showed SiH
bending and stretching modes in the ranges 800-1200 and 1400-1800 cm
, respectively. BaSiH
is thermally stable up to 95
C above which decomposition into BaH
and Si takes place. DFT calculations indicated a direct band gap of 2.5 eV. The discovery of BaSiH
consolidates the compound class of hydridosilicates, accessible from hydrogenations of silicides at gigapascal pressures (
10 GPa). The structural properties of BaSiH
suggest that it presents an intermediate (or precursor) for further hydrogenation at considerably higher pressures to the predicted superconducting polyhydride BaSiH
.
Ito, Tatsuya; Ogawa, Yuhei*; Gong, W.; Mao, W.*; Kawasaki, Takuro; Okada, Kazuho*; Shibata, Akinobu*; Harjo, S.
Acta Materialia, 287, p.120767_1 - 120767_16, 2025/04
Times Cited Count:1 Percentile:0.00(Materials Science, Multidisciplinary)Wang, Y.*; Gong, W.; Harjo, S.; 7 of others*
Acta Materialia, 288, p.120840_1 - 120840_14, 2025/04
Times Cited Count:3 Percentile:84.88(Materials Science, Multidisciplinary)Naeem, M.*; Rehman, A. U.*; Romero Resendiz, L.*; Salamci, E.*; Aydin, H.*; Ansari, P.*; Harjo, S.; Gong, W.; Wang, X.-L.*; 3 of others*
Communications Materials (Internet), 6, p.65_1 - 65_13, 2025/04
Kumada, Takayuki; Iwahara, Daisuke*
Isotope News, (798), p.26 - 27, 2025/04
no abstracts in English
Pandian, K.*; Neikter, M.*; Ekh, M.*; Harjo, S.; Kawasaki, Takuro; Woracek, R.*; Hansson, T.*; Pederson, R.*
JOM, 77(4), p.1803 - 1815, 2025/04
Times Cited Count:0 Percentile:0.00(Materials Science, Multidisciplinary)Hu, F.-F.*; Qin, T.-Y.*; Ao, N.*; Xu, P. G.; Su, Y. H.; Parker, J. D.*; Shinohara, Takenao; Shobu, Takahisa; Kang, G.-Z.*; Ren, M.-M.; et al.
Journal of Traffic and Transportation Engineering, 25(2), p.75 - 93, 2025/04
Li, F.*; Tang, X.*; Fei, Y.*; Zhang, J.*; Liu, J.*; Lang, P.*; Che, G.*; Zhao, Z.*; Zheng, Y.*; Fang, Y.*; et al.
Journal of the American Chemical Society, 147(17), p.14054 - 14059, 2025/04
Times Cited Count:1 Percentile:0.00(Chemistry, Multidisciplinary)We synthesized a crystalline graphane nanoribbon (GANR) via pressure-induced polymerization of 2,2'-bipyrazine (BPZ). By performing Rietveld refinement of in situ neutron diffraction data, nuclear magnetic resonance spectroscopy, infrared spectra, and theoretical calculation, we found that BPZ experienced Diels-Alder polymerization between the
stacked aromatic rings, and formed extended boat-GANR structures with exceptional long-range order. The unreacted -C=N- groups bridge the two ends of the boat, and ready for further functionalization. The GANR has a bandgap of 2.25 eV, with booming photoelectric response (
/
=18.8). Our work highlights that the high-pressure topochemical polymerization is a promising method for the precise synthesis of graphane with specific structure and desired properties.
Yamauchi, Hiroki; Metoki, Naoto; Watanuki, Ryuta*; Hong, T.*; Fernandez-Baca, J. A.*; Hagihara, Masato; Masuda, Takatsugu*; Yoshizawa, Hideki*; Ito, Shinichi*
Journal of the Physical Society of Japan, 94(5), p.054705_1 - 054705_8, 2025/04
Thennakoon, A.*; Yokokura, Ryoga*; Yang, Y.*; Kajimoto, Ryoichi; Nakamura, Mitsutaka; Hayashi, Masahiro*; Michioka, Chishiro*; Chern, G.-W.*; Broholm, C.*; Ueda, Hiroaki*; et al.
Nature Communications (Internet), 16, p.3939_1 - 3939_13, 2025/04
Times Cited Count:0 Percentile:0.00(Multidisciplinary Sciences)Efthimiopoulos, I.*; Klotz, S.*; Kunc, K.*; Baptiste, B.*; Chauvigne, P.*; Hattori, Takanori
Physical Review B, 111(13), p.134103_1 - 134103_13, 2025/04
Times Cited Count:0 Percentile:0.00(Materials Science, Multidisciplinary)We present a comprehensive study of the high pressure behaviour of ReO using X-ray and neutron diffraction, Raman scattering and first-principles calculations to 15 GPa. We show that the ambient pressure
structure converts at 0.7 GPa in a continuous phase transition directly to a cubic phase with space group
and rhombohedral
structures in this pressure range are an artifact due to an alteration of the sample by high-flux synchrotron X-ray radiation. The structural pressure dependence of the
O samples are presented. The data shed light onto the unusual transition and densification mechanism due to progressive tilting of essentially rigid ReO
octahedra.
Wang, Y.*; Zeng, X.-T.*; Li, B.*; Su, C.*; Hattori, Takanori; Sheng, X.-L.*; Jin, W.*
Chinese Physics B, 34(4), p.046203_1 - 046203_6, 2025/03
Times Cited Count:0 Percentile:0.00(Physics, Multidisciplinary)Two-dimensional van der Waals ferromagnet FeGeTe
(FGT) holds a great potential for applications in spintronic devices, due to its high Curie temperature, easy tunability, and excellent structural stability in air. In this study, we have performed high-pressure neutron powder diffraction (NPD) up to 5 GPa, to investigate the evolution of its structural and magnetic properties with hydrostatic pressure. The NPD data clearly reveal the robustness of the ferromagnetism in FGT, despite of an apparent suppression by hydrostatic pressure. As the pressure increases from 0 to 5 GPa, the Curie temperature is found to decrease monotonically from 225(5) K to 175(5) K, together with a dramatically suppressed ordered moment of Fe, which is well supported by the first-principles calculations. Although no pressure-driven structural phase transition is observed up to 5 GPa, quantitative analysis on the changes of bond lengths and bond angles indicate a significant modification of the exchange interactions, which accounts for the pressure-induced suppression of the ferromagnetism in FGT.