ANSTO :: Browsing by Author "Yu, DH"

Browsing by Author "Yu, DH"

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Alumina template-assisted electrodeposition of Bi2Te2.7Se0.3 nanowire arrays
(Elsevier, 2010-06-01) Li, XL; Cai, KF; Li, H; Yu, DH; Wang, X; Wang, HF
Bi2Te2.7Se0.3 nanowire arrays have been fabricated by electrodeposition into the pores of an anodic aluminum oxide (AAO) template followed by annealing at 300°C under Ar atmosphere. The as-prepared nanowires were characterized by X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray spectroscopy. The nanowires are uniform single crystalline with diameter of ~14 nm. © 2010, Elsevier Ltd.
Application of inelastic neutron scattering for thermoelectric materials study
(Australian Nuclear Science and Technology Organisation, 2021-11-25) Yu, DH
Research on thermoelectric (TE) materials have been an active field for the past decade as TE material can potentially be used in many niche areas such as to power space probe and convert waste-heat into electricity. Continuing developments are undergoing in the search for advanced TE materials that could play significant role in sustainable technology. One of the strategies in improving the performance of a thermoelectric material is to decrease the thermal conductivity, which is directly related to the lattice dynamics of the materials. Measurement of phonon density of states and phonon dispersion as a function of temperature can provide deep insight of the thermal conductivity in terms of, for example, anharmonic vibrations and low energy rattling modes. PELICAN, a time of fight neutron spectrometer at ACNS, has been actively used for such kind of studies. In this presentation, I will give a brief introduction and the current status of TE material research, followed by the link to material lattice dynamics and explore how inelastic neutron scattering can help in fundamental understanding of the thermoelectric properties with a couple of study cases. © 2021 The Author
Boson peak in ultrathin alumina layers investigated with neutron spectroscopy
(American Physical Society, 2020-06-11) Cortie, DL; Cyster, MJ; Ablott, TA; Richardson, C; Smith, JS; Iles, GN; Wang, XL; Mitchell, DRG; Mole, RA; de Souza, NR; Yu, DH; Cole, JH
Bulk glasses exhibit extra vibrational modes at low energies, collectively known as the boson peak. The vibrational dynamics in nanoscale alumina glasses have an impact on the performance of qubits and other superconducting devices; however, the frequency of the boson peak has not been previously measured. Here we report neutron spectroscopy experiments on Al/Al2O3 nanoparticles consisting of spherical metallic cores with a radii from 20 to 1000 nm surrounded by a 3.5-nm-thick alumina glass. A low-energy peak is observed at ωBP = 2.8 ± 0.6 meV for highly oxidized particles, indicating an excess in the density of states. The intensity of the peak scales inversely with particle size and oxide fraction, indicating a surface origin, and is redshifted by 3 meV with respect to the van Hove singularity of γ -phase Al2O3 nanocrystals. Molecular-dynamics simulations of α-Al2O3, γ -Al2O3 and α-Al2O3 show that the observed boson peak is a signature of the ultrathin glass surface and the characteristic frequency is reduced compared to the peak in the bulk glass. © 2020 The Authors. Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license.
Characterisation and application of a SPLEED-based spin polarisation analyser
(Elsevier, 2007-12-15) Yu, DH; Math, C; Meier, M; Escher, M; Rangelov, G; Donath, M
A commercial electron spin analyser, based on spin-polarised low-energy electron diffraction (SPLEED) from W(100), has been characterised with incident polarised electron beams from a standard GaAs polarised electron source. The dependence of the Sherman function on the scattering energy and elapse time after CO-flash of the tungsten crystal of the analyser have been measured. The influence of the stray magnetic field on the performance of the analyser has been investigated. The spin analyser has been applied in monitoring the reorientation transition of the easy magnetisation direction of Fe films on W(110) upon the exposure of CO adsorbent on the surface. © 2007, Elsevier Ltd.
Cooling field tuned magnetic phase transition and exchange bias-like effect in Y0.9Pr0.1CrO3
(AIP Publishing, 2015-09-11) Deng, DM; Zheng, JS; Yu, DH; Wang, BM; Sun, DH; Avdeev, M; Feng, Z; Jing, C; Lu, B; Ren, W; Cao, SX; Zhang, JC
Cooling magnetic field dependence of magnetic phase transition has been observed in Y0.9Pr0.1CrO3. GzFx order (spin structure of PrCrO3) is dominant after zero field cooling (ZFC), whereas GxFz order (spin structure of YCrO3) is dominant after cooling under a field higher than 100 Oe. Positive/negative exchange bias-like effect, with large vertical shift and small horizontal shift, has been observed after FC/ZFC process. The vertical shift can be attributed to the frozen ordered Pr3+ and Cr3+ spins in magnetic domains, because of the strong coupling between Pr3+ and Cr3+ sublattices; while the horizontal shift is a result of the pinning of spins at the interfaces. The frozen structure is generated by the field used for the measurement of the initial magnetization curve of M(H) for the ZFC cooled sample, while it is generated by the cooling field for the sample cooled under a cooling field higher than 100 Oe. © 2015 AIP Publishing LLC.
Copper diffusion rates and hopping pathways in superionic Cu2Se
(Elsevier, 2021-08-15) Nazrul Islam, SMK; Mayank, P; Ouyang, Y; Chen, J; Sagotra, AK; Li, M; Cortie, MB; Mole, RA; Cazorla, C; Yu, DH; Wang, XL; Robinson, RA; Cortie, DL
The ultra-low thermal conductivity of Cu2Se is well established, but so far there is no consensus on the underlying mechanism. One proposal is that the fast-ionic diffusion of copper suppresses the acoustic phonons. The diffusion coefficients reported previously, however, differ by two orders of magnitude between the various studies and it remains unclear whether the diffusion is fast enough to impact the heat-bearing phonons. Here, a two-fold approach is used to accurately re-determine the diffusion rates. Ab-initio molecular dynamics simulations, incorporating landmark analysis techniques, were closely compared with experimental quasielastic/inelastic neutron scattering. Reasonable agreement was found between these approaches, consistent with a diffusion coefficient of 3.1 ± 1.3 x 10−5 cm2.s−1 at 675 K and an activation barrier of 140 ± 60 meV. The hopping mechanism includes short 2 Å hops between tetrahedral and interstitial octahedral sites. This process forms dynamic Frenkel defects. Despite the latter processes, there is no major loss of the phonon mode intensity in the superionic state, and there is no strong correlation between the phonon spectra and the increased diffusion rates. Instead, intrinsic anharmonic phonon interactions appear to dictate the thermal conductivity above and below the superionic transition, and there is only subtle mode broadening associated with the monoclinic-cubic structural transition point, with the phonon density-of-states remaining almost constant at higher temperatures. © 2021 Acta Materialia Inc.
Critical role of the coupling between the octahedral rotation and a-site ionic displacements in PbZrO3-based antiferroelectric materials investigated by in situ neutron diffraction
(American Physical Society, 2017-12-21) Lu, T; Studer, AJ; Yu, DH; Withers, RL; Feng, Y; Chen, H; Islam, SS; Xu, Z; Liu, Y
This in situ neutron-diffraction study on antiferroelectric (AFE) Pb0.99(Nb0.02Zr0.65Sn0.28Ti0.05)O3 polycrystalline materials describes systematic structural and associated preferred orientation changes as a function of applied electric field and temperature. It is found that the pristine AFE phase can be poled into the metastable ferroelectric (FE) phase at room temperature. At this stage, both AFE and FE phases consist of modes associated with octahedral rotation and A-site ionic displacements. The temperature-induced phase transition indicates that the octahedral rotation and ionic displacements are weakly coupled in the room-temperature FE phase and decoupled in the high-temperature FE phase. However, both temperature and E-field-induced phase transitions between the AFE and high-temperature FE phase demonstrate the critical role of coupling between octahedral rotation and A-site ionic displacements in stabilizing the AFE structure, which provides not only experimental evidence to support previous theoretical calculations, but also an insight into the design and development of AFE materials. Moreover, the associated preferred orientation evolution in both AFE and FE phases is studied during the phase transitions. It is found that the formation of the preferred orientation can be controlled to tune the samples’ FE and AFE properties. ©2017 American Physical Society - Open access
Defect structure and property consequence when small Li+ ions meet BaTiO3
(American Physical Society, 2020-08-31) Narayanan, N; Lou, Q; Rawal, A; Lu, T; Liu, Z; Chen, J; Langley, J; Chen, H; Hester, JR; Cox, N; Fuess, H; McIntyre, GJ; Li, G; Yu, DH; Liu, Y
In the present work the longstanding issue of the structure and dynamics of smaller ions in oxides and its impact on the properties was investigated on 7% Li-doped BaTiO3. The investigation combined several techniques, notably neutron powder diffraction (NPD), nuclear magnetic resonance (7Li-NMR), electron paramagnetic resonance (EPR), electron microprobe, electric polarization (EP) measurement, and electronic structure calculations based on density-functional theory (DFT). Electron microprobe confirmed multiple phases, one containing incorporated Li in the BaTiO3 host lattice and another glassy phase which breaks the host lattice due to excessive Li accumulation. While the average structure of Li in BaTiO3 could not be determined by NPD, 7Li-NMR revealed one broad “disordered” and multiple “ordered” peaks. Local structure models with different defect types involving Li+ were modeled and the corresponding chemical shifts (δ) were compared with experimental values. It is found that the closest defect model describing the ordered peaks, is with Ti4+ being replaced by four Li+ ions. The biexponential behavior of the spin-lattice relaxation of the ordered peaks each with a short and a long relaxation discloses the existence of paramagnetic ions. Finally, EPR revealed the existence of the paramagnetic ion Ti3+ as a charge-transfer defect. DFT calculations disclosed local antipolar displacements of Ti ions around both types of defect sites upon insertion of Li+. This is in accordance with the experimental observation of pinching effects of the EP in Li-doped BaTiO3. These studies demonstrate the huge impact of the local structure of the doped smaller/lighter ions on the functional properties of oxides. ©2020 American Physical Society
Defect structure-property correlations in Li doped BaTiO3
(Australian Institute of Nuclear Science and Engineering (AINSE), 2020-11-11) Narayanan, N; Lou, Q; Rawal, A; Lu, T; Liu, Z; Chen, J; Langley, J; Chen, H; Hester, JR; Cox, N; Fuess, H; McIntyre, GJ; Li, G; Yu, DH; Liu, Y; Li, G
In the present work we investigate the important issue of the structure and dynamics of smaller ions in oxides and the resulting impact on its functional properties. For this purpose, we selected a 7% Li-doped BaTiO3. Li is a vital ingredient in novel energy storage technologies such as Li-ion batteries. The smaller Li-ion can influence the structural stability, homogeneity, local environment, and dynamic behavior of the host lattice, affecting and optimizing the dielectric and multiferroic properties of novel polar functional materials [1-2]. However, the Li-ion positions and dynamics in functional materials are not completely understood, controversially discussed and are the subject of extensive ongoing research [3]. Furthermore, sample inhomogeneity due to Li migration to the grain boundary and/or development of multiple phases complicates the elucidation of the structure-property correlations that may lead to incorrect interpretations [4]. The selection of BaTiO3 as the host lattice is due to materials based on this being considered as the alternative to the piezoelectric lead zirconate titanate, citing environmental issues [5]. BaTiO3 also crystallizes in a simple perovskite structure and Li ions can be effectively doped into it at lower doping levels. Very recently, field-dependent electric polarization measurements on BaTiO3 exhibited a polarization–electric field double hysteresis loop upon Li doping [4]. These drastic changes to the electric polarization, related to the doping poses a good test case for the investigation of the Li induced defect structure model and its influence on the functional properties. To elucidate the above structure-property correlations, we combined several techniques, such as neutron powder diffraction electron microprobe associated with the wavelength-dispersive spectroscopy, 7Li nuclear magnetic resonance spectroscopy (NMR), electron paramagnetic resonance (EPR), electric polarization measurement, and theoretical calculations based on density functional theory [6].
Development of advanced diluted magnetic semiconductors with rare earth doping technology
(University of Western Australia, 2007-10-15) Photongkam, P; Ionescu, M; Zeng, R; Yu, DH; Li, S
Direct evidence of Ni magnetic moment in TbNi2Mn—X-ray magnetic circular dichroism
(Elsevier, 2014-12-01) Yu, DH; Huang, MJ; Su, HC; Lin, HJ; Chen, CT; Campbell, SJ; Wang, JL
We have investigated the individual magnetic moments of Ni, Mn and Tb atoms in the intermetallic compound TbNi2Mn in the Laves phase (magnetic phase transition temperature TC ~131 K) by X-ray magnetic circular dichroism (XMCD) studies at 300 K, 80 K and 20 K. Analyses of the experimental results reveal that Ni atoms at 20 K in an applied magnetic field of 1 T carry an intrinsic magnetic moment of spin and orbital magnetic moment contributions 0.53±0.01 μB and 0.05±0.01 μB, respectively. These moment values are similar to those of the maximum saturated moment of Ni element. A very small magnetic moment of order <0.1 μB has been measured for Mn. This suggests that Mn is antiferromagnetically ordered across the two nearly equally occupied sites of 16d and 8a. A magnetic moment of up to ~0.3 μB has been observed for the Tb atoms. Identification of a magnetic moment on the Ni atoms has provided further evidence for the mechanism of enhancement of the magnetic phase transition temperature in TbNi2Mn compared with TbNi2 (TC~37.5 K) and TbMn2 (TC~54 K) due to rare earth–transition metal (R–T) and transition metal–transition metal (T–T) interactions. The behaviour of the X-ray magnetic circular dichroism spectra of TbNi2Mn at 300 K, 80 K and 20 K – above and below the magnetic ordering temperature TC ~131 K – is discussed. © 2014 Elsevier
Does the boson peak survive in an ultrathin oxide glass?
(arXiv.org, 2019-07-29) Cortie, DL; Cyster, MJ; Smith, JS; Iles, GN; Wang, XL; Mitchell, DRG; Mole, RA; de Souza, NR; Yu, DH; Cole, JH
Bulk glasses exhibit extra vibrational modes at low energies, known as the boson peak. The microscopic dynamics in nanoscale alumina impact the performance of qubits and other superconducting devices, however the existence of the boson peak in these glasses has not been previously measured. Here we report neutron spectroscopy on Al/Al2O3−x nanoparticles consisting of spherical metallic cores from 20 to 1000 nm surrounded by a 3.5 nm thick alumina glass. An intense low-energy peak is observed at ωBP = 2.8 ± 0.6 meV for highly oxidised particles, concurrent with an excess in the density of states. The intensity of the peak scales inversely with particle size and oxide fraction indicating a surface origin, and is red-shifted by 3 meV with respect to the van-Hove singularity of γ-phase Al2O3−x nanocrystals. Molecular dynamics simulations of α-Al2O3−x, γ-Al2O3−x and a-Al2O3−x show that the observed boson peak is a signature of the ultrathin glass surface, and the frequency is softened compared to that of the hypothetical bulk glass.
Doping of ZnO thin film with Eu using ion beams
(Trans Tech Publications, 2010-01-01) Ionescu, M; Photongkam, P; Yu, DH; Siegele, R; Li, S; Cohen, DD
Modification of electric and magnetic properties of ZnO thin films was achieved by low energy Eu ion irradiation. The desired doping levels as well as the depth distribution of the dopant was controlled by the ion energy and the ion flux, following a simulated interaction between the doping ion and the host ZnO matrix of epitaxial ZnO (0001) films of approximatelly 200nm, grown on c-Al2O3 by PLD. The properties of the doped ZnO film depend in a critical way on the homogeneity of the doped ions throughout the entire film. The doping levels and the depth distribution of dopants were measured by elastic recoil detection analysis (ERDA). The results show a uniform depth distribution of Eu, as well as some level of Al diffusion from the substrate and the presence of some low levels of H, N and O. PACS code: 68.49Sf; 74.78Bz.
Driving forces for the phase transition of CuQ2-TCNQ molecular crystals
(Royal Society of Chemistry, 2016-05-23) Yu, DH; Kearley, GJ; Liu, G; Mole, RA; McIntyre, GJ; Tao, X
The driving forces for the phase transition and relative stability of the two forms of CuQ2-TCNQ molecular crystals have been studied using inelastic neutron scattering (INS), density functional theory (DFT), and Hirshfeld surface analysis. DFT molecular dynamics (MD) simulations show that form-II has a lower enthalpy, but with increasing temperature form-I becomes thermodynamically stable due to the greater entropy. INS and MD simulations both show that the entropy of the hydrogen-bond network that holds molecules together within layers is higher in form-I. The interlayer π–π interactions are also weaker in form-I, leading to an overall “loosening” of the structure. The phase transition is kinetically hindered by the requirement to re-optimize the orientation of the layers. The strong H-bond interactions keep the in-plane atomic arrangement stable, while the weak interlayer π–π interactions provide the coupling between layers during the phase-transition. This subtle interplay of the two interactions maintains the integrity of the crystal upon phase transition even with dramatic physical dimension changes. © The Royal Society of Chemistry 2016
Electrodeposition and characterization of thermoelectric Bi2Te2Se/Te multilayer nanowire arrays
(Academic Press Ltd- Elsevier Science Ltd, 2011-11-01) Li, XL; Cai, KF; Yu, DH; Wang, YY
Multilayer nanowire arrays of a new heterogeneous thermoelectric material, Bi(2)Te(2)Se/Te, were successfully fabricated by a template-assisted pulsed electrodeposition method. The nanowires were characterized by X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, high resolution transmission electron microscopy, and energy dispersive X-ray spectroscopy, respectively. The diameter of the nanowires is in the range of 60-85 nm. By adjusting the concentration of Te precursor, the length of the Te segment can be modulated. At sufficient low concentration of Te precursor, the phase composition of the other segment can even be changed from Bi(2)Te(2)Se to Bi(2)Se(2)Te. The formation and growth mechanisms of the nanowires were proposed. (C) 2011 Elsevier Ltd.
Electronic and magnetic properties of thin Fe films on Pd(001)
(Australian Institute of Physics, 2005-01-31) Yu, DH; Senoo, T; Hayashi, K; Kakizaki, A
We have studied the electronic and magnetic properties of thin Fe film on Pd(001) with the techniques of Angle-Resolved Photoemission and Magnetic Linear Dichroism in Angular Distributions of the photoelectrons. The angle-resolved photoemission spectra of thin Fe films (1-3 ML) on Pd (001) substrate were measured with incident photon energy of 22 eV to 70 eV. The asymmetry function with respect to the magnetisation directions of the sample was also measured with linear polarised light. The 3d-4d hybridisation was studied through the induced polarisation observed in the angular distribution of photoelectrons from Pd. © 2005 Australian Institute of Physics
Energy and temperature dependence of rigid unit modes in AlPO4-5
(Royal Society of Chemsitry, 2015-07-17) Berlie, A; Kearley, GJ; Liu, Y; Yu, DH; Mole, RA; Ling, CD; Withers, RL
For structures that can be treated as networks of rigid, corner-connected polyhedra, the dominant distortion modes can be described by so-called rigid unit modes that are close to zero frequency. This type of behaviour is common in zeolitic/zeotypic materials such as the AlPO4 family of compounds and has been suggested by some authors to play a significant role in molecular diffusion within the pores of such compounds. We explore the energy and temperature dependence of these modes in AlPO4-5 using inelastic neutron scattering and heat capacity measurements. Ab initio based computational modelling is also used to assign the observed dynamic behaviour to rigid unit modes. We observe that these rigid unit modes persist down to very low temperatures and show no signs of freezing out.© 2015, the Owner Societies.
Enhancement of co substitution induced by Eu codoping in ZnO-based diluted magnetic semiconducting thin films
(American Institute of Physics, 2010-02) Photongkam, P; Zhang, YB; Assadi, MHN; Li, S; Yu, DH; Ionescu, M; Pan, AV
To avoid the occurrence of doped magnetic ion clustering is a challenge in fabrication of diluted magnetic semiconductors (DMSs). In this work, we report the intrinsic ferromagnetic behavior in Co-doped ZnO DMSs induced by Eu codoping. Both structural parameters and magnetic properties demonstrate the existence of an interaction between Co and Eu ions. The observation of multiplet structures for the localized Co 3d states in x-ray absorption and x-ray magnetic circular dichroism characterization evidences that the codoped Eu plays an important role in facilitating the Co substitution of Zn, leading to intrinsic ferromagnetism. © 2010, American Institute of Physics
Experimental confirmation of the universal law for the vibrational density of states of liquids
(American Chemical Society, 2022-04-02) Stamper, C; Cortie, DL; Yue, ZJ; Wang, XL; Yu, DH
An analytical model describing the vibrational density of states (VDOS) of liquids has long been elusive, owing to the complexities of liquid dynamics. Nevertheless, Zaccone and Baggioli have recently developed such a model which was proposed to be the universal law for the vibrational density of states of liquids. Distinct from the Debye law, g(ω) ∝ ω2, for solids, the universal law for liquids reveals a linear relationship, g(ω) ∝ ω, in the low-energy region. We have confirmed this universal law with experimental VDOS measured by inelastic neutron scattering on real liquid systems including water, liquid metal, and polymer liquids, and have applied this model to extract the effective relaxation rate for the short time dynamics for each liquid. The model has also been further evaluated in the prediction of the specific heat with comparison to existing experimental data as well as with values obtained by different approaches. © 2022 American Chemical Society
The fermi surface of Cu3Mn {100} and spinglass magnetism
(Australian Institute of Physics, 2009-02-05) Stampfl, APJ; Loh, NA; Hsieh, KY; Yu, DH; Brigden, P; Stojanov, P; Riley, JD; Stamps, RL; Yuh, JY; Pi, TW; Chang, J; Hwu, YK
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