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Journal Articles

Bayesian sparse modeling of extended X-ray absorption fine structure to determine interstitial oxygen positions in yttrium oxyhydride epitaxial thin film

Kumazoe, Hiroyuki*; Igarashi, Yasuhiko*; Iesari, F.*; Shimizu, Ryota*; Komatsu, Yuya*; Hitosugi, Taro*; Matsumura, Daiju; Saito, Hiroyuki*; Iwamitsu, Kazunori*; Okajima, Toshihiko*; et al.

AIP Advances (Internet), 11(12), p.125013_1 - 125013_5, 2021/12

Journal Articles

Correlation of anomalous Hall effect with structural parameters and magnetic ordering in Mn$$_{3+x}$$Sn$$_{1-x}$$ thin films

Yoon, J.-Y.*; Takeuchi, Yutaro*; DuttaGupta, S.*; Yamane, Yuta*; Kanai, Shun*; Ieda, Junichi; Ono, Hideo*; Fukami, Shunsuke*

AIP Advances (Internet), 11(6), p.065318_1 - 065318_6, 2021/06

 Times Cited Count:0 Percentile:0(Nanoscience & Nanotechnology)

Journal Articles

Inclination of self-interstitial dumbbells in molybdenum and tungsten; A First-principles study

Suzudo, Tomoaki; Tsuru, Tomohito

AIP Advances (Internet), 11(6), p.065012_1 - 065012_7, 2021/06

 Times Cited Count:0

In the current study, we analyzed the self-interstitial atoms (SIAs) in BCC molybdenum (Mo) and tungsten (W) in comparison with other BCC transition metals utilizing first-principles method; particularly, we focused on uncommon dumbbells, whose direction are inclined from $$<$$111$$>$$ toward $$<$$110$$>$$ on the {110} plane. Such a direction is not stable neither in the group 5 BCC metals (i.e., vanadium, niobium, and tantalum) nor in $$alpha$$-iron. Our first-principles relaxation simulations indicated that inclined dumbbells were more energetically-favored than common $$<$$111$$>$$ dumbbells in Mo, while this is not necessarily the case for W. However, under a certain degree of lattice strain, such as shear or expansive strain, could make inclined dumbbells more favored also in W, suggesting that the lattice strain can substantially influence the migration barrier of SIAs in these metals because inclined dumbbells generally have a larger migration barrier than $$<$$111$$>$$ dumbbells.

Journal Articles

Geometries and electronic states of iron trimer (Fe$$_{3}$$) by CCSD and CCSD(T) calculations

Nakazawa, Tetsuya

AIP Advances (Internet), 11(4), p.045032_1 - 045032_8, 2021/04

 Times Cited Count:0 Percentile:0(Nanoscience & Nanotechnology)

Geometries and energy separations of various low-lying electronic states of iron trimer (Fe$$_{3}$$) are investigated by CCSD and CCSD(T) calculations. The ground state is found to be a $$^{13}$$A' state with C$$_{s}$$ symmetry, whereas a nearly isoenergetic state, $$^{13}$$A$$_{1}$$ (C$$_{2v}$$), is degenerate to the ground state. The ground and five low-lying states with a spin multiplicity of 13 are found below 0.20 eV at the CCSD(T) level. On the other hand, the low-lying states with spin multiplicities of 9, 11, and 15 appear only above 0.20 eV. From detailed natural bond orbital (NBO) analyses, Fe$$_{3}$$ has Fe-Fe bonds comprised of $$sigma$$-bond orbitals only in $$beta$$-spin part with higher s-character in low-lying states with a spin multiplicity of 13. The polarization coefficients indicate that the $$sigma$$$$_{Fe-Fe}$$ bonds are nearly complete covalent bonds with little polarization.

Journal Articles

Brittle-fracture simulations of curved cleavage cracks in $$alpha$$-iron; A Molecular dynamics study

Suzudo, Tomoaki; Ebihara, Kenichi; Tsuru, Tomohito

AIP Advances (Internet), 10(11), p.115209_1 - 115209_8, 2020/11

 Times Cited Count:2 Percentile:24.67(Nanoscience & Nanotechnology)

The mechanism of their brittle fracture of BCC metals is not fully understood. In this study, we conduct a series of three-dimensional molecular dynamics simulations of cleavage fracture of $$alpha$$-iron. In particular, we focus on mode-I loading starting from curved crack fronts. In the simulations, brittle fractures are observed at cleavages on the {100} plane, while the initial cracks become blunted on other planes as a result of dislocation emissions. Our modeling results agreed with a common experimental observation, that is, {100} is the preferential cleavage plane in bcc transition metals.

Journal Articles

Preparation, thermoelectric properties, and crystal structure of boron-doped Mg$$_{2}$$Si single crystals

Hayashi, Kei*; Saito, Wataru*; Sugimoto, Kazuya*; Oyama, Kenji*; Hayashi, Koichi*; Happo, Naohisa*; Harada, Masahide; Oikawa, Kenichi; Inamura, Yasuhiro; Miyazaki, Yuzuru*

AIP Advances (Internet), 10(3), p.035115_1 - 035115_7, 2020/03

 Times Cited Count:5 Percentile:68.88(Nanoscience & Nanotechnology)

Journal Articles

Direct observation of electronic structure change by resistance random access memory effect in amorphous alumina

Kubota, Masato; Nigo, Seisuke*; Kato, Seiichi*; Amemiya, Kenta*

AIP Advances (Internet), 9(9), p.095050_1 - 095050_4, 2019/09

 Times Cited Count:0 Percentile:0(Nanoscience & Nanotechnology)

We measured the X-ray absorption spectra of amorphous alumina with vacancy-type oxygen defects which exhibits the resistance random access memory effect. For the first time, we detected changes in the electronic structure owing to the memory effect. A major difference in spectrum was observed near the O K-absorption edge.

Journal Articles

Inverted-parabolic and weak strain dependencies on the critical current in practical $$<$$110$$>$$ and $$<$$100$$>$$ oriented REBCO tapes

Osamura, Kozo*; Machiya, Shutaro*; Kajiwara, Kentaro*; Kawasaki, Takuro; Harjo, S.; Zhang, Y.*; Fujita, Shinji*; Iijima, Yasuhiro*; Hampshire, D. P.*

AIP Advances (Internet), 9(7), p.075216_1 - 075216_11, 2019/07

 Times Cited Count:2 Percentile:22.92(Nanoscience & Nanotechnology)

Journal Articles

Longitudinal strain of epitaxial graphene monolayers on SiC substrates evaluated by $$z$$-polarization Raman microscopy

Saito, Yuika*; Tokiwa, Kenshiro*; Kondo, Takahiro*; Bao, J.*; Terasawa, Tomoo; Norimatsu, Wataru*; Kusunoki, Michiko*

AIP Advances (Internet), 9(6), p.065314_1 - 065314_6, 2019/06

 Times Cited Count:0 Percentile:0(Nanoscience & Nanotechnology)

Journal Articles

Superconductivity in a multiorbital model for the $$Gamma_3$$ crystalline electric field state

Kubo, Katsunori

AIP Advances (Internet), 8(10), p.101313_1 - 101313_6, 2018/10

 Times Cited Count:3 Percentile:24.63(Nanoscience & Nanotechnology)

Journal Articles

Al-impurity-induced magnetic excitations in heavily over-doped La$$_{1.7}$$Sr$$_{0.3}$$Cu$$_{0.95}$$Al$$_{0.05}$$O$$_{4}$$

Ikeuchi, Kazuhiko*; Nakajima, Kenji; Kawamura, Seiko; Kajimoto, Ryoichi; Wakimoto, Shuichi; Suzuki, Kensuke*; Fujita, Masaki*

AIP Advances (Internet), 8(10), p.101318_1 - 101318_5, 2018/10

 Times Cited Count:0 Percentile:0(Nanoscience & Nanotechnology)

By means of inelastic neutron scattering, we measured magnetic excitations in a sizable single crystal of La$$_{1.7}$$Sr$$_{0.3}$$Cu$$_{0.95}$$Al$$_{0.05}$$O$$_{4}$$, which is an Al-substituted system of the heavily hole-doped cuprate system La$$_{2-x}$$Sr$$_{x}$$CuO$$_{4}$$ with an effective concentration of holes of $$X_{rm eff}$$ = 0.25.

Journal Articles

Schottky specific heat of the lightly Mn-substituted electron-doped SrTiO$$_3$$

Okuda, Tetsuji*; Kajimoto, Ryoichi; Noda, Masaaki*; Kuwahara, Hideki*

AIP Advances (Internet), 8(10), p.101339_1 - 101339_5, 2018/10

 Times Cited Count:0 Percentile:0(Nanoscience & Nanotechnology)

Journal Articles

Effects of Fe doping on anomalous specific heat and XAFS oscillation in antiferromagnetic metal Mn$$_3$$Si

Hiraka, Haruhiro*; Oyama, Kenji*; Kosaka, Masashi*; Matsumura, Daiju

AIP Advances (Internet), 8(10), p.101424_1 - 101424_5, 2018/10

 Times Cited Count:0 Percentile:0(Nanoscience & Nanotechnology)

Journal Articles

Origin of 6-fold coordinated aluminum at (010)-type pyrophyllite edges

Okumura, Masahiko; Sassi, M.*; Rosso, K. M.*; Machida, Masahiko

AIP Advances (Internet), 7(5), p.055211_1 - 055211_9, 2017/05

 Times Cited Count:5 Percentile:34.53(Nanoscience & Nanotechnology)

no abstracts in English

Journal Articles

New p- and n-type ferromagnetic semiconductors; Cr-doped BaZn$$_{2}$$As$$_{2}$$

Gu, B.; Maekawa, Sadamichi

AIP Advances (Internet), 7(5), p.055805_1 - 055805_6, 2017/05

 Times Cited Count:3 Percentile:21.37(Nanoscience & Nanotechnology)

Journal Articles

Temperature dependence of the spin Seebeck effect in [Fe$$_{3}$$O$$_{4}$$/Pt]n multilayers

Ramos, R.*; Kikkawa, Takashi*; Anad$'o$n, A.*; Lucas, I.*; Uchida, Kenichi*; Algarabel, P. A.*; Morell$'o$n, L.*; Aguirre, M. H.*; Saito, Eiji; Ibarra, M. R.*

AIP Advances (Internet), 7(5), p.055915_1 - 055915_7, 2017/05

 Times Cited Count:15 Percentile:68.57(Nanoscience & Nanotechnology)

Journal Articles

Magnetocaloric effect of Sr-substituted BaFeO$$_{3}$$ in the liquid nitrogen and natural gas temperature regions

Yoshii, Kenji; Hayashi, Naoaki*; Mizumaki, Masaichiro*; Takano, Mikio*

AIP Advances (Internet), 7(4), p.045117_1 - 045117_6, 2017/04

 Times Cited Count:6 Percentile:40.28(Nanoscience & Nanotechnology)

We have investigated the magnetocaloric effect (MCE) of Ba$$_{1-x}$$Sr$$_{x}$$Fe$$^{4+}$$O$$_{3}$$ (x$$underline{<}$$0.2), a series of cubic perovskites showing a field-induced transition from helical antiferromagnetism to ferromagnetism. The maximum magnetic entropy change (-$$Delta$$S$$_{max}$$) at 50 kOe varies from $$sim$$ 5.8 J kg$$^{-1}$$K$$^{-1}$$ (x=0) to $$sim$$ 4.9 J kg$$^{-1}$$K$$^{-1}$$ (x=0.2), while the refrigerant capacity remains almost the same at $$sim$$165 J kg$$^{-1}$$. Interestingly, the temperature of -$$Delta$$S$$_{max}$$ decreases from $$sim$$116 K to $$sim$$77 K with increasing x, providing this series of rare-earth-free oxides with potential as a magnetic refrigerant for the liquefaction of nitrogen and natural gas.

Journal Articles

Linear magnetoresistance in a topological insulator Ru$$_2$$Sn$$_3$$

Shiomi, Yuki*; Saito, Eiji

AIP Advances (Internet), 7(3), p.035011_1 - 035011_6, 2017/03

 Times Cited Count:5 Percentile:34.53(Nanoscience & Nanotechnology)

Journal Articles

Real-time observation of rotational twin formation during molecular-beam epitaxial growth of GaAs on Si (111) by X-ray diffraction

Suzuki, Hidetoshi*; Nakata, Yuka*; Takahashi, Masamitsu; Ikeda, Kazuma*; Oshita, Yoshio*; Morohara, Osamu*; Geka, Hirotaka*; Moriyasu, Yoshitaka*

AIP Advances (Internet), 6(3), p.035303_1 - 035303_6, 2016/03

 Times Cited Count:4 Percentile:25.92(Nanoscience & Nanotechnology)

Journal Articles

A Predictive model for transferability of plastic deformation through grain boundaries

Tsuru, Tomohito; Shibutani, Yoji*; Hirouchi, Tomoyuki*

AIP Advances (Internet), 6(1), p.015004_1 - 015004_9, 2016/01

 Times Cited Count:8 Percentile:41.71(Nanoscience & Nanotechnology)

The material strengths of polycrystalline metals have been widely predicted according to the grain size, where yield stress is governed by slip transfer through the grain boundary (GB). The transferability of a dislocation across a GB is enormously important in the deformation process as well as the interaction between a dislocation and GB. This paper proposes a new criterion for the transferability of dislocations through a GB that considers both the intergranular crystallographic orientation of slip systems and the applied stress condition. Atomistic simulations were carried out to investigate the slip transfer event of simple bicrystals composed of $$Sigma 3 (bar{1}12)$$ GB than $$Sigma 3 (bar{1}11)$$ GBs under uniaxial deformation and to illustrate the availability of this criterion. As a result, in contrast to the predictions of conventional criteria such as the $$M$$-value, dislocations propagated more easily across the $$Sigma 3 (bar{1}11)$$ and $$Sigma 3 (bar{1}12)$$ GB under given stress states, reflecting a larger $$L'$$-value of $$Sigma 3$$ bicrystal associated with higher transferability.

23 (Records 1-20 displayed on this page)