ORCID Profile
0000-0001-6345-071X
Current Organisation
Queensland University of Technology
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Research Topics
In Research Link Australia (RLA), "Research Topics" refer to ANZSRC FOR and SEO codes. These topics are either sourced from ANZSRC FOR and SEO codes listed in researchers' related grants or generated by a large language model (LLM) based on their publications.
Top 5 Research Topics
ANZSRC Field of Research (FoR)
Materials engineering | Functional Materials | Interdisciplinary Engineering not elsewhere classified | Materials Engineering | Functional materials | Electronic and magnetic properties of condensed matter; superconductivity | Renewable Power and Energy Systems Engineering (excl. Solar Cells) | Nanomaterials | Nanotechnology | Chemical Characterisation of Materials | Nanomaterials | Nanoscale Characterisation | Nanotechnology not elsewhere classified |
ANZSRC Socio-Economic Objective (SEO)
Energy Storage (excl. Hydrogen) | Expanding Knowledge in the Chemical Sciences | Scientific Instruments | Organic Industrial Chemicals (excl. Resins, Rubber and Plastics) | Expanding Knowledge in Technology |
Related Links
Publications
Effects of composition and processing on the microstructure and properties of 1-2-3 superconductors
Publisher: Elsevier BV
Date: 1991
Observation of exsolution textures within Ba-Cu-O-rich solidified melts of Y-Ba-Cu-O materials and their relationship to Y123 nucleation and texturing
Publisher: Elsevier BV
Date: 05-2000
Electronic structure studies and photocatalytic properties of cubic Bi1.5ZnNb1.5O7
Publisher: Hindawi Limited
Date: 2015
DOI: 10.1155/2015/575376
Abstract: The photocatalytic ability of cubic Bi 1.5 ZnNb 1.5 O 7 (BZN) pyrochlore for the decolorization of an acid orange 7 (AO7) azo dye in aqueous solution under ultraviolet (UV) irradiation has been investigated for the first time. BZN catalyst powders prepared using low temperature sol-gel and higher temperature solid-state methods have been evaluated and their reaction rates have been compared. The experimental band gap energy has been estimated from the optical absorption edge and has been used as reference for theoretical calculations. The electronic band structure of BZN has been investigated using first-principles density functional theory (DFT) calculations for random, completely and partially ordered solid solutions of Zn cations in both the A and B sites of the pyrochlore structure. The nature of the orbitals in the valence band (VB) and the conduction band (CB) has been identified and the theoretical band gap energy has been discussed in terms of the DFT model approximations.
Manufacture of fine-grained Y2BaCuO5 powder by coprecipitation
Publisher: Elsevier BV
Date: 06-1995
Partial melt processing and electrical properties of Bi-Sr-Ca-Cu-o superconducting thick films on (100) MgO substrates
Publisher: IOP Publishing
Date: 05-1997
Electron density response to phonon dynamics in MgB2: An indicator of superconducting properties
Publisher: Scientific Research Publishing, Inc.
Date: 2018
THz/Far infrared synchrotron observations of superlattice frequencies in MgB2
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1CP03405G
Abstract: THz/Far infrared synchrotron absorption experiments on pure and doped MgB 2 s les show that the absorption spectral weight at low wavenumber ( i.e. , cm −1 ) evolves as the temperature is reduced to 10 K.
Effects of Al substitution by Si in Ti3AlC2 nanolaminate
Publisher: Springer Science and Business Media LLC
Date: 09-02-2021
DOI: 10.1038/S41598-021-81346-W
Abstract: Recently, a series of high-purity Ti 3 (Al 1− x Si x )C 2 solid solutions with new compositions ( x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) have been reported with interesting mechanical properties. Here, we have employed density functional theory for Ti 3 (Al 1− x Si x )C 2 solid solutions to calculate a wider range of physical properties including structural, electronic, mechanical, thermal and optical. With the increase of x , a decrease of cell parameters is observed. All elastic constants and moduli increase with x . The Fermi level gradually increases, moving towards and past the upper bound of the pseudogap, when the value of x goes from zero to unity, indicating that the structural stability reduces gradually when the amount of Si increases within the Ti 3 (Al 1− x Si x )C 2 system. In view of Cauchy pressure, Pugh’s ratio and Poisson’s ratio all compositions of Ti 3 (Al 1− x Si x )C 2 are brittle in nature. Comparatively, low Debye temperature, lattice thermal conductivity and minimum thermal conductivity of Ti 3 AlC 2 favor it to be a thermal barrier coating material. High melting temperatures implies that the solid solutions Ti 3 (Al 1− x Si x )C 2 may have potential applications in harsh environments. In the visible region (1.8–3.1 eV), the minimum reflectivity of all compositions for both polarizations is above 45%, which makes them potential coating materials for solar heating reduction.
Spectroscopy of metal hexaborides: Phonon dispersion models
Publisher: Wiley
Date: 19-09-2018
DOI: 10.1002/JRS.5480
Metal hexaborides with Sc, Ti or Mn
Publisher: Scientific Research Publishing, Inc.
Date: 2013
Low temperature decomposition of metal borohydride drives autogenous synthesis of MgB2
Publisher: IOP Publishing
Date: 23-03-2017
Microstructure of an artificial grain boundary weak link in an YBa2Cu3O7−σ thin film grown on a (100)(110), [001]-tilt Y-ZrO2 bicrystal
Publisher: Elsevier BV
Date: 06-1993
A complete and accurate description of superconductivity of AlB2-type structures from phonon dispersion calculations
Publisher: Springer Science and Business Media LLC
Date: 12-09-2018
Weak links and dc SQUIDS on artificial nonsymmetric grain boundaries in YBa2Cu3O7−δ
Publisher: AIP Publishing
Date: 02-12-1991
DOI: 10.1063/1.105783
Abstract: We have studied weak links and dc–SQUIDs made from pulsed laser deposited YBa2Cu3O7−δ thin films on Y–ZrO2 bicrystal substrates. The transport properties of the weak links were studied as a function of the misorientation angle (θ) between the two halves of the bicrystal and an exponential dependence of the weak link critical current density was observed for angles up to 40° at 77 K. Josephson effects with clear microwave and magnetic field responses were observed. An optimum dc–SQUID performance at 77 K was obtained for θ=32°. At this temperature, we achieved a periodic magnetic field response with a modulation depth of 12 μV.
Subtypes of familial breast tumours revealed by expression and copy number profiling
Publisher: Springer Science and Business Media LLC
Date: 04-12-2009
DOI: 10.1007/S10549-009-0653-1
Abstract: Extensive expression profiling studies have shown that sporadic breast cancer is composed of five clinically relevant molecular subtypes. However, although BRCA1-related tumours are known to be predominantly basal-like, there are few published data on other classes of familial breast tumours. We analysed a cohort of 75 BRCA1, BRCA2 and non-BRCA1/2 breast tumours by gene expression profiling and found that 74% BRCA1 tumours were basal-like, 73% of BRCA2 tumours were luminal A or B, and 52% non-BRCA1/2 tumours were luminal A. Thirty-four tumours were also analysed by single nucleotide polymorphism-comparative genomic hybridization (SNP-CGH) arrays. Copy number data could predict whether a tumour was basal-like or luminal with high accuracy, but could not predict its mutation class. Basal-like BRCA1 and basal-like non-BRCA1 tumours were very similar, and contained the highest number of chromosome aberrations. We identified regions of frequent gain containing potential driver genes in the basal (8q and 12p) and luminal A tumours (1q and 17q). Regions of homozygous loss associated with decreased expression of potential tumour suppressor genes were also detected, including in basal tumours (5q and 9p), and basal and luminal tumours (10q). This study highlights the heterogeneity of familial tumours and the clinical consequences for treatment and prognosis.
Properties of artificial grain boundary weak links grown on Y-ZrO2bicrystals
Publisher: IOP Publishing
Date: 09-1991
Identification of superconductivity mechanisms and prediction of new materials using Density Functional Theory (DFT) calculations
Publisher: IOP Publishing
Date: 12-2018
Analysis and prediction of the critical current density across [001]-tilt
Publisher:
American Physical Society (APS)
Date:
11-1995
Publisher: American Physical Society (APS)
Date: 11-1995
Phase evolution of the quenched melt of YBa2Cu3O7-y with 20 mol% Y2BaCuO5 additions
Publisher: IOP Publishing
Date: 09-1998
Phase composition of the rapidly quenched melt of YBa2Cu3O7-y+20 mol% Y2BaCuO5
Publisher: Elsevier BV
Date: 1999
Phonon dispersion anomalies and superconductivity in metal substituted MgB2
Publisher: Elsevier BV
Date: 04-2017
Re-evaluation of experimental measurements for the validation of electronic band structure calculations for LiFePO 4 and FePO 4
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8RA09154D
Abstract: The surface Li depletion affects the determination of optical gap for LiFePO 4 , which was previously used for validation of DFT calculations.
Effects of PtO2 and CeO2 additives on the microstructures of the quenched melts of Y-Ba-Cu-O materials
Publisher: Elsevier BV
Date: 07-2000
First hafnium-based MAX phase in the 312 family, Hf3AlC2: A first-principles study
Publisher: Elsevier BV
Date: 12-2017
Comments on the phase diagrams and crystallisation paths of Y-Ba-Cu-O materials
Publisher: Elsevier BV
Date: 11-1999
Comparison of functionals for metal Hexaboride band structure calculations
Publisher: Scientific Research Publishing, Inc.
Date: 2014
Experimental control of Tc in AlB2-type compounds using an applied voltage
Publisher: arXiv
Date: 2022
A nanometre‐scale non‐periodic structural variation in high temperature superconducting ceramics and the implications for properties
Publisher: Wiley
Date: 06-2001
DOI: 10.1046/J.1365-2818.2001.00848.X
Abstract: Non-periodic structural variation has been found in the high Tc cuprates, YBa2Cu3O7-x and Hg0.67Pb0.33Ba2Ca2Cu3O8+delta, by image analysis of high resolution transmission electron microscope (HRTEM) images. We use two methods for analysis of the HRTEM images. The first method is a means for measuring the bending of lattice fringes at twin planes. The second method is a low-pass filter technique which enhances information contained by diffuse-scattered electrons and reveals what appears to be an interference effect between domains of differing lattice parameter in the top and bottom of the thin foil. We believe that these methods of image analysis could be usefully applied to the many thousands of HRTEM images that have been collected by other workers in the high temperature superconductor field. This work provides direct structural evidence for phase separation in high Tc cuprates, and gives support to recent stripes models that have been proposed to explain various angle resolved photoelectron spectroscopy and nuclear magnetic resonance data. We believe that the structural variation is a response to an opening of an electronic solubility gap where holes are not uniformly distributed in the material but are confined to metallic stripes. Optimum doping may occur as a consequence of the diffuse boundaries between stripes which arise from spinodal decomposition. Theoretical ideas about the high Tc cuprates which treat the cuprates as homogeneous may need to be modified in order to take account of this type of structural variation.
Microstructural characterization of quenched melt-textured YBa2Cu3O7-d materials
Publisher: Springer Science and Business Media LLC
Date: 03-1997
Abstract: The microstructure of YBa 2 Cu 3 O 7−δ (YBCO) materials, melt-textured in air and quenched from the temperature range 900– °C, has been characterized using a combination of x-ray diffractometry, optical microscopy, scanning electron microscopy, transmission electron microscopy, and energy dispersive x-ray spectrometry. BaCu 2 O 2 and BaCuO 2 were found to coexist in s les quenched from the temperature range 920–960 °C. The formation of BaCu 2 O 2 preceded the formation of YBCO. Once the YBCO had formed, BaCu 2 O 2 was present at the solidification front filling the space between nearly parallel platelets of YBCO. Large Y 2 BaCuO 2 particles at the solidification front appeared ided into smaller ones as a result of their dissolution in the liquid that quenched as BaCu 2 O 2 .
Few-layer MoS2 nanosheets with and without silicon nanoparticles as anodes for lithium-ion batteries
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D2TA08886J
Abstract: NaCl crystals are employed as a substrate to grow MoS 2 nanosheets. On dissolving NaCl, the nanosheets are introduced to silicon nanoparticles using layer-by-layer assembly forming robust MoS 2 @Si anodes for lithium-ion batteries.
Spectroscopic Evidence of Surface Li-Depletion of Lithium Transition-Metal Phosphates
Publisher: American Chemical Society (ACS)
Date: 27-02-2020
Regulation of surface oxygen activity in Li-rich layered cathodes using band alignment of vanadium phosphate surface coatings
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2TA05606B
Abstract: Interfacial electronic band alignment between alkali vanadium( iii ) phosphate (Na 3 V 2 (PO 4 ) 3 , Li 3 V 2 (PO 4 ) 3 ) coatings regulate oxygen redox activity and enhance electrochemical performance in prototypical Li-rich layered oxide, Li 1.2 Mn 0.54 Ni 0.13 Co 0.13 O 2 .
Direct spectroscopic observation of the reversible redox mechanism in A3V2(PO4)3(A=Li,Na) cathode materials for Li-ion batteries
Publisher: Elsevier BV
Date: 07-2023
YBCO thin films on Yttria stabilized Zirconia and LaAlO3-growth and properties
Publisher: Elsevier BV
Date: 12-1991
Early stages of growth of YBa2Cu3O7−δ high T c superconducting films on (001) Y-ZrO2 substrates
Publisher: AIP Publishing
Date: 15-03-1994
DOI: 10.1063/1.356123
Abstract: The early stages of growth of high quality YBa2Cu3O7−δ (YBCO) films grown on (001) Y-ZrO2 (YSZ) substrates by pulsed laser deposition have been studied using a combination of atomic force microscopy and transmission electron microscopy. A one unit cell thick YBCO layer and relatively large CuO particles formed in the initial stages. Additional YBCO grew on top of the first layer in the form of one or a few unit cell high c-axis oriented islands about 30 nm in diameter. The rounded islands subsequently coalesced into faceted domains. Elongated Y2BaCuO5 particles nucleated after the first layer of YBCO. A highly textured BaZrO3 layer formed between the YSZ and the YBCO with a cube-on-cube dominant orientation relationship with respect to the YBCO film.
A phenomenological model for the structure–composition relationship of the high Tc cuprates based on simple chemical principles
Publisher: Elsevier BV
Date: 06-2012
Insights from systematic DFT calculations on superconductors
Publisher: IntechOpen
Date: 21-07-2021
Abstract: We present three systematic approaches to use of Density Functional Theory (DFT) for interpretation and prediction of superconductivity in new or existing materials. These approaches do not require estimates of free parameters but utilize standard input values that significantly influence computational resolution of reciprocal space Fermi surfaces and that reduce the meV-scale energy variability of calculated values. Systematic calculations on conventional superconductors show that to attain a level of resolution comparable to the energy gap, two key parameters, Δk and the cut-off energy, must be optimized for a specific compound. The optimal level of resolution is achieved with k-grids smaller than the minimum reciprocal space separation between key parallel Fermi surfaces. These approaches enable estimates of superconducting properties including the transition temperature (Tc) via (i) measurement of the equivalent thermal energy of a phonon anomaly (if present), (ii) the distribution of electrons and effect on Fermi energy (EF) when subjected to a deformation potential and (iii) use of parabolic, or higher order quartic, approximations for key electronic bands implicated in electron–phonon interactions. We demonstrate these approaches for the conventional superconductors MgB2, metal substituted MgB2 and boron-doped diamond.
Synthesis and characterisation of nanoscale magnesium oxide powders and their application in thick films of Bi2Sr2CaCu2O8
Publisher: Elsevier BV
Date: 03-1998
Binder effect on microstructure and properties of YBa2Cu3O7-x extruded wires
Publisher: Elsevier BV
Date: 04-1998
Synthesis of MgB2 at low temperature and autogenous pressure
Publisher: MDPI AG
Date: 15-05-2014
DOI: 10.3390/MA7053901
Progress Towards a Universal Approach for Prediction of the Superconducting Transition Temperature
Publisher: Springer Science and Business Media LLC
Date: 11-12-2020
Electropolishing of polycrystalline YBa2Cu3O7−δ to meet the need for sharp needle geometry
Publisher: Elsevier BV
Date: 04-1992
Reaction products between Bi-Sr-Ca-Cu-oxide thick films and alumina substrates
Publisher: Elsevier BV
Date: 03-1997
Thermoelectric properties of phase pure boron carbide prepared by a solution-based method
Publisher: Informa UK Limited
Date: 26-12-2019
Structural, electronic and optical properties of lead-free antimony-copper based hybrid double perovskites for photovoltaics and optoelectronics by first principles calculations
Publisher: Elsevier BV
Date: 2021
Microstructural investigation of Bi-Sr-Ca-Cu-oxide thick films on alumina substrates
Publisher: Springer Science and Business Media LLC
Date: 1997
Fine-grained Y2Cu2O5 powder from a co-precipitated precursor
Publisher: Elsevier BV
Date: 1996
Effects of substrate temperature on the microstructure of YBa2Cu3O7−δ films grown on (001) Y-ZrO2 substrates
Publisher: AIP Publishing
Date: 10-08-1992
DOI: 10.1063/1.107779
Abstract: High-quality YBa2Cu3O7−δ films grown on (001) single-crystal Y-ZrO2 substrates by pulsed laser deposition have been studied as a function of substrate temperature using transmission electron microscopy. A transition from epitaxial films to c-axis oriented polycrystalline films was observed at 740 °C. An intermediate, polycrystalline, BaZrO3 layer was formed from a reaction between the film and the substrate. A dominant orientation relationship of [001]YBCO//[001]int. layer//[001]YSZ and [110]YBCO//[110]int. layer//[100]YSZ was observed. The formation of grain boundaries in the films resulted in an increased microwave surface resistance and a decreased critical-current density. The superconducting transition temperature remained fairly constant at about 90 K.
Microstructural studies of quenched partially-melted Y-123 materials and Y-123 with Y-211, PtO2 and CeO2 additions
Publisher: Elsevier BV
Date: 05-1998
Phonon anomalies predict superconducting Tc for AlB2-type structures
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5CP04402B
Abstract: The phonon anomaly, δ , calculated by ab initio DFT methods, indicates presence of superconductivity in Mg 0.5 Ba 0.5 B 2 and other AlB 2 -type structures.
Computational prediction and experimental confirmation of rhombohedral structures in Bi1.5CdM1.5O7 (M = Nb, Ta) pyrochlores
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C6RA27633D
Abstract: We present theoretical predictions for the electronic band and crystal structure of Bi 1.5 CdM 1.5 O 7 (M = Nb, Ta) using DFT. The DFT calculated band gaps are in very good agreement with optical band gaps estimated from UV-Vis spectra.
Synthesis and Characterization of a Novel Hydrated Layered Vanadium(III) Phosphate Phase K3V3(PO4)4·H2O: A Functional Cathode Material for Potassium-Ion Batteries
Publisher: American Chemical Society (ACS)
Date: 08-01-2021
Compositional and structural control in LLZO solid electrolytes
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2RA03303H
Abstract: Enhanced precursor homogeneity is achieved through a novel solution-based synthesis approach to enable precise control over material structure and composition.
Study of in situ laser deposited YBCO thin films
Publisher: Elsevier BV
Date: 10-1990
Improving the Rate Capability of LiFePO4 Electrode by Controlling Particle Size Distribution
Publisher: The Electrochemical Society
Date: 2019
DOI: 10.1149/2.0621916JES
Nanoscale differentiation of surfaces and cores for olivine phosphate particles—a key characteristic of practical battery materials
Publisher: IOP Publishing
Date: 06-04-2021
Abstract: We provide a review of our recent studies on the surface chemistries and electronic structures of olivine phosphate cathode materials LiMPO 4 (M = Mn, Fe, Co, Ni). Li-depletion and mixed oxidation for the transition metal ions have been detected on particle surfaces, across the family of metal phosphate cathode materials. The effects of surface Li-depletion on optical properties and electronic band structures are discussed. LiFePO 4 doped with metals or ions that are reported in the literature as beneficial for rate capability enhancement show more pronounced surface Li-depletion and mixed oxidation compared to undoped material. This outcome, among others, indicates that the dopant resides predominantly on, and influences, the surface of cathode materials.
Validating the Electronic Structure of Vanadium Phosphate Cathode Materials
Publisher: American Chemical Society (ACS)
Date: 20-09-2021
Optimizing Li+ transport in Li7La3Zr2O12 solid electrolytes
Publisher: Elsevier BV
Date: 07-2023
Valorisation of acid mine drainage waste for synthesis of ferric ammonium sulfate (FAS)
Publisher: Elsevier BV
Date: 2024
Nanojoint Formation between Ceramic Titanate Nanowires and Spot Melting of Metal Nanowires with Electron Beam
Publisher: American Chemical Society (ACS)
Date: 02-03-2017
Abstract: Construction of nanoarchitectures requires techniques like joint formation and trimming. For ceramic materials, however, it is extremely difficult to form nanojoints by conventional methods like merging. In this work, we demonstrate that ceramic titanate nanowires (NWs) can be joined by spot melting under electron beam (e-beam) irradiation (EBI). The irradiation fuses the contacted spot of titanate NWs yielding an intact nanojoint. Nanojoints with different morphologies can be produced. The joint structures consist of titanium dioxide (TiO
Progress towards slip-casting YBa2Cu3O7-x monoliths
Publisher: Elsevier BV
Date: 02-1997
Shape-formed ceramic superconductors by slip-casting
Publisher: Springer Science and Business Media LLC
Date: 12-1995
DOI: 10.1007/BF02652996
Phonon modes of MgB2: super-lattice structures and spectral response
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4CP03449J
Abstract: Observed phonon modes of MgB 2 are equivalent to a lower symmetry super-lattice and may be linked to superconductivity via conservation of coherent acoustic energy.
In-Situ Carbon Control in the Preparation of Precursors to Boron Carbide by a Non-Aqueous Solution Technique
Publisher: David Publishing Company
Date: 25-02-2015
INTERFACIAL MICROSTRUCTURE IN Y1 Ba2 Cu3 O7-δ HIGH Tc SUPERCONDUCTORS
Publisher: EDP Sciences
Date: 1990
Nanoscale characteristics of practical LiFePO4 materials - Effects on electrical, magnetic and electrochemical properties
Publisher: Elsevier BV
Date: 04-2020
Very thin YBaCuO films made by coevaporation
Publisher: Elsevier
Date: 1992
Precision structural and phase analysis of boron carbide
Publisher: Elsevier BV
Date: 06-2020
Fundamentals of Standard Cell Formats, Fabrication and Formation Equipment
Publisher: Queensland University of Technology
Date: 19-11-2021
DOI: 10.5204/REP.EPRINTS.236407
Abstract: This document provides an overview of standard cell format trends, cell fabrication and formation equipment as well as best practices established worldwide for Li-ion cell/battery fabrication and formation equipment. The purpose of this report is to fill the knowledge and essential capability gap pertaining to testing and qualification workflow of Lithium-ion cell materials in reliable, reproducible cell formats that are also representative of industry standards. The target audience for this report are domestic battery-grade materials suppliers and prospective suppliers as well as members of the emerging Australian battery industry.
Sintering and densification mechanisms of Y2BaCuO5 pellets
Publisher: Elsevier BV
Date: 09-1999
Superlattices, Bonding-Antibonding, Fermi Surface Nesting, and Superconductivity
Publisher: MDPI AG
Date: 15-08-2023
Abstract: Raman and synchrotron THz absorption spectral measurements on MgB2 provide experimental evidence for electron orbital superlattices. In earlier work, we have detected THz spectra that show superlattice absorption peaks with low wavenumbers, for which spectral density evolves and intensifies after cooling below the superconducting transition temperature for MgB2. In this work, we show how these observations indicate a direct connection to superconducting properties and mechanisms. Bonding–antibonding orbital character is identified in calculated electronic band structures and Fermi surfaces consistent with superlattice structures along the c-axis. DFT calculations show that superlattice folding of reciprocal space generates Brillouin zone boundary reflections, Umklapp processes, and substantially enhances nesting relationships. Tight binding equations are compared with expected charge density waves from nesting relationships and adjusted to explicitly accommodate these linked processes. Systematic analysis of electronic band structures and Fermi surfaces allows for direct identification of Cooper pairing and the superconducting gap, particularly when the k-grid resolution of a calculation is suitably calibrated to structural parameters. Thus, we detail a robust and accurate DFT re-interpretation of BCS superconductivity for MgB2.
Bi-2223 precursor billets for PIT wire production
Publisher: Institute of Electrical and Electronics Engineers (IEEE)
Date: 06-1999
DOI: 10.1109/77.785014
Studies of the phase evolution of YBCO materials with different additives
Publisher: IOP Publishing
Date: 10-1998
Ab initio atomistic insights into lead-free formamidinium based hybrid perovskites for photovoltaics and optoelectronics
Publisher: Elsevier BV
Date: 11-2019
Phonon dispersion models for MgB2 with application of pressure
Publisher: Elsevier BV
Date: 05-2017
High quality YBCO thin films - laser deposition, co-evaporation, and device fabrication
Publisher: IOP Publishing
Date: 07-1991
Phonon dispersions as indicators of dynamic symmetry reduction in superconductors
Publisher: IntechOpen
Date: 12-12-2018
Synthesis, Characterization, and Electronic Structure Studies of Cubic Bi 1.5 ZnTa 1.5 O 7 for Photocatalytic Applications
Publisher: Hindawi Limited
Date: 2015
DOI: 10.1155/2015/349030
Abstract: Bi 1.5 ZnTa 1.5 O 7 (BZT) has been synthesized using an alkoxide based sol-gel reaction route. The evolution of the phases produced from the alkoxide precursors and their properties have been characterized as function of temperature using a combination of thermogravimetric analysis (TGA) coupled with mass spectrometry (MS), infrared emission spectrometry (IES), X-ray diffraction (XRD), ultraviolet and visible (UV-Vis) spectroscopy, Raman spectroscopy, and N 2 adsorption/desorption isotherms. The lowest sintering temperature (600°C) to obtain phase pure BZT powders with high surface area (14.5 m 2 /g) has been determined from the thermal decomposition and phase analyses. The photocatalytic activity of the BZT powders has been tested for the decolorization of organic azo-dye and found to be photoactive under UV irradiation. The electronic band structure of the BZT has been investigated using density functional theory (DFT) calculations to determine the band gap energy (3.12 eV) and to compare it with experimental band gap (3.02 eV at 800°C) from optical absorption measurements. An excellent match is obtained for an assumption of Zn cation substitutions at specifically ordered sites in the BZT structure.
Morphology control in high yield boron carbide
Publisher: Elsevier BV
Date: 02-2017
Observation of Preferential Cation Doping on the Surface of LiFePO4 Particles and Its Effect on Properties
Publisher: American Chemical Society (ACS)
Date: 31-08-2020
YBaCuO thin films on Yttria-stabilized Zirconia: growth and properties
Publisher: Elsevier
Date: 1992
Melt textured Y123 bulk and thick film
Publisher: Elsevier BV
Date: 11-2000
YBa2Cu3O7/NdGaO3/YBa2Cu3O7 trilayers by modified off-axis sputtering
Publisher: AIP Publishing
Date: 06-1993
DOI: 10.1063/1.354002
Abstract: High-quality epitaxial YBa2Cu3O7−δ (YBCO) thin films were achieved by a modified off-axis sputtering technique with high deposition rates (3.3 nm/min). The film quality and the deposition rate depended crucially on the target-to-substrate separation. Epitaxial YBCO/NdGaO3(NGO)/YBCO trilayers were successfully grown onto SrTiO3, Y-ZrO2, and LaAlO3 substrates by dc and rf sputtering. The epitaxial relations were found to be [001]YBCO//[001]NGO, [100]YBCO, or [010]YBCO//[110]NGO and [001]YBCO//[110]NGO, [100]YBCO, or [010]YBCO//[001]NGO, where the latter orientation relationship was dominating. Subsequent top YBCO layers grew c axis oriented independently of the two epitaxial orientations of the NGO. The orientation relationships between YBCO and NGO were the same. Auger electron depth profiles and transmission electron microscopy indicated that the interdiffusion at the interface between the YBCO and NGO layers was not strong even at 740 °C. The superconducting transition temperatures of the top and bottom YBCO layers were about the same as that of YBCO single layers, i.e., 87–90 K. Scanning electron microscopy of the surface morphologies of the YBCO and the NGO showed that a smaller substrate-target distance resulted in smoother films.
Coherent phonon decay and the boron isotope effect for MgB2
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4CP04114C
Abstract: DFT calculated phonon frequencies for a 2× super-lattice of MgB 2 isotopic forms with P 6 3 mc symmetry suggests coherent acoustic phonon decay may be an important contributor to superconductivity.
Effects of Nanoscale Surface Lithium Depletion on the Optical Properties and Electronic Band Structures of Lithium Transition-Metal Phosphates
Publisher: American Chemical Society (ACS)
Date: 21-08-2020
Microstructures of YBa2Cu3O7-δ superconductors
Publisher: Elsevier BV
Date: 1990
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