Max Avdeev

Max Avdeev
Australian Nuclear Science and Technology Organisation | ANSTO · Australian Centre for Neutron Scattering

Ph.D.

About

645
Publications
57,542
Reads
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10,508
Citations
Additional affiliations
April 2005 - August 2019
Australian Nuclear Science and Technology Organisation
Position
  • Manager
Description
  • Neutron Diffraction Group manager Co-responsible for the high-resolution neutron powder diffractometer ECHIDNA. Research interests: Crystal and magnetic structure of inorganic materials, Neutron and X-ray scattering, atomistic modeling, data mining.
November 2001 - March 2005
Argonne National Laboratory
Position
  • PostDoc Position
Description
  • X-ray and neutron scattering group (with Jim Jorgensen)

Publications

Publications (645)
Article
Sodium-ion batteries (SIBs) are a promising next-generation energy storage system in terms of cost due to the abundance of sodium. However, obtaining good anode materials for SIBs remains a challenge. NaTiOPO4 has been investigated as an anode not only for SIBs but also for aqueous SIBs. Despite the various NaTiOPO4 polymorphs, only the β-NaTiOPO4...
Article
Full-text available
AA′3B4O12 quadruple perovskites, with magnetic A′ and non-magnetic B cations, are characterized by a wide range of complex magnetic structures. These are due to a variety of competing spin-exchange interactions up to the fourth nearest neighbours. Here, we synthesize and characterize the magnetic behaviour of the CaCo3Ti4O12 quadruple perovskite. W...
Article
Electrochemical characteristics such as open-circuit voltage and ionic conductivity of electrochemical energy storage materials are easily affected, typically negatively, by mobile ion/vacancy ordering. Ordered phases can be identified based on the lattice gas model and electrostatic energy screening. However, the evaluation of long-range electrost...
Preprint
Full-text available
In frustrated magnetic systems, the competition amongst interactions can introduce extremely high degeneracy and prevent the system from readily selecting a unique ground state. In such cases, the magnetic order is often exquisitely sensitive to the balance among the interactions, allowing tuning among novel magnetically ordered phases. In antlerit...
Article
Selecting proper descriptors, also known as features, is one of the key problems in modeling for materials properties using machine learning models. Redundant features reduce accuracy of machine learning modeling, and results of purely data-driven feature selection methods are often inconsistent with materials domain knowledge. Herein, a feature se...
Article
The electrification trend in the automotive industry is fueling research on Ni-rich layered NCM cathode materials with high specific capacities. The simplest way to maximize the electrochemical performance of Ni-rich NCM is to tune the crystal structure by controlling the Li content and synthesis temperature. Herein, we demonstrate the critical rol...
Article
A comprehensive understanding of the nexus of diffusion mechanisms on the atomic scale as well as structural influences on the ionic motion in solid electrolytes is key for further development of high-performing all-solid-state batteries. Therefore, current research not only focuses on the search for innovative materials, but also on the study of d...
Preprint
Full-text available
Magnetic properties of the quasicrystal approximant Au$_{65}$Ga$_{21}$Tb$_{14}$ were investigated by the magnetization and the neutron diffraction experiments. The temperature dependences of the magnetic susceptibility and the magnetization curve indicate dominant ferromagnetic interactions, while the whirling antiferromagnetic order was found from...
Article
Full-text available
The rare mineral cyanochroite, K2Cu(SO4)2·6H2O, features isolated Cu2+ ions in distorted octahedral coordination, linked via a hydrogen-bond network. We have grown single crystals of cyanochroite as large as ∼0.5 cm3 and investigated structural and magnetic aspects of this material. The positions of hydrogen atoms deviate significantly from those r...
Article
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Controlling the phases of matter is a central task in condensed matter physics and materials science. In 2D magnets, manipulating spin orientation is of great significance in the context of the Mermin–Wagner theorem. Herein, a systematic study of temperature‐ and pressure‐dependent magnetic properties up to 1 GPa in van der Waals CrPS4 is reported....
Article
As the search for improved and next-generation cathodes continues, it is clear that a deeper understanding of synthesis–structure–electrochemical property relationships is of critical importance. The effects of primary and secondary particle morphologies on various transition metal oxides have been studied, but new findings are still being reported...
Article
We have succeeded in growing α-DyGa3 single crystals by the self-flux method and determined its magnetic structure by neutron powder diffraction. α-DyGa3 crystallizes in the rhombohedral SrSn3-type structure (R3̅m, #166, hR48), and the magnetic sublattice is comprised of staggering layers of triangular lattice of Dy. Magnetic ordering occurs below...
Article
The magnetic structure and properties of fluorophosphate Na2MnPO4F sodium insertion material, assuming a monoclinic (s.g. P21/n, #14) framework, were examined with the help of magnetic susceptibility and neutron powder diffraction. A long-range antiferromagnetic ordering was observed below the Néel temperature (TN) ∼10.4 K. Low temperature neutron...
Article
The previously unattained fabrication of single phase Ln2ZrO5 (Ln = Sm, Eu, Gd, and Tb) compounds via relatively low sintering temperature (1400°C) is achieved in this study using a coprecipitation method. The crystal structures have been investigated by neutron, synchrotron X‐ray powder diffraction, and electron diffraction techniques. While the g...
Article
Full-text available
A magnetic structure of the sawtooth-chain antiferromagnet Fe2Se2O7\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\hbox {Fe}_2\hbox {Se}_2\hbox {O}_7$$\end{document} w...
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Monoclinic natrium superionic conductors (NASICON; Na3Zr2Si2PO12) are well-known Na-ion solid electrolytes which have been studied for 40 years. However, due to the low symmetry of the crystal structure, identifying the migration channels of monoclinic NASICON accurately still remains unsolved. Here, a cross-verified study of Na⁺ diffusion pathways...
Article
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Quasicrystals (QCs), first discovered in 1984, generally do not exhibit long-range magnetic order. Here, we report on long-range magnetic order in the real icosahedral quasicrystals (i QCs) Au–Ga–Gd and Au–Ga–Tb. The Au65Ga20Gd15i QC exhibits a ferromagnetic transition at TC = 23 K, manifested as a sharp anomaly in both magnetic susceptibility and...
Article
A large number of oxides that adopt the centrosymmetric (CS) garnet-type structure (space group Ia3̅d) have been widely studied as promising magnetic and host materials. Hitherto, no noncentrosymmetric (NCS) garnet has been reported yet, and a strategy to NCS garnet design is therefore significant for expanding the application scope. Herein, for th...
Article
Full-text available
We have examined the irradiation response of a titanate and zirconate pyrochlore—both of which are well studied in the literature individually—in an attempt to define the appearance of defect fluorite in zirconate pyrochlores. To our knowledge this study is unique in that it attempts to discover the mechanism of formation by a comparison of the dif...
Article
Full-text available
Insertion compounds provide the fundamental basis of today’s commercialized Li-ion batteries. Throughout history, intense research has focused on the design of stellar electrodes mainly relying on layered oxides or sulfides, and leaving aside the corresponding halides because of solubility issues. This is no longer true. In this work, we show the f...
Article
We have investigated the magnetic structure of Li2Co(WO4)2 via magnetic susceptibility, and neutron diffraction measurements. Two magnetic transitions are observed in magnetic susceptibility at TN1∼9.5K and TN2∼7.2K. Neutron diffraction reveals an incommensurate magnetic order with a wave vector kICM=(∼0.46,∼0.27,∼0.24) between TN1 and TN2 and a co...
Article
In parallel with advances in the synthesis of solid-state ionic conductors, there is a need to understand the underlying mechanisms behind their improved ionic conductivities. This can be achieved by obtaining an atomic level picture of the interplay between the structure of materials and the resultant ionic diffusion processes. To this end, the st...
Article
Li 3 PO 4 is known to demonstrate Li ⁺ ionic conductivity, making it a good candidate for solid electrolytes in all-solid batteries. Understanding the crystal structure and its connection to Li ⁺ diffusion is essential for further rational doping to improve the ionic transport mechanism. The purpose of this study is to investigate this mechanism us...
Article
The crystal and magnetic structures and properties of the monoclinic form of the iron hydroxysulfate FeOHSO4 were investigated by magnetometry and neutron powder diffraction. The space group C2/c was confirmed, and the proton position was located close to that predicted by ab initio calculations. The collinear antiferromagnetic k(0,0,0) structure f...
Article
Perovskite lattice was tailored by introducing site vacancies and mixed anion composition, to produce Sr0.83Li0.17Ta0.83O1.88N0.74 (Li02N). Further, Li02N was converted to a defect oxide Sr0.83Li0.17Ta0.83O3 (Li02O) by applying an optimized treatment: heating in air at 1173 K for 2 h. According to the neutron Rietveld refinement, Li02N and Li02O ar...
Preprint
Full-text available
Magnetic properties of the pyrovanadate CaCoV$_2$O$_7$ have been studied by means of the bulk magnetization and neutron powder diffraction measurements. Magnetic susceptibility in the paramagnetic phase shows Curie-Weiss behavior with negative Weiss temperature $\Theta \simeq -22.5$ K, indicating dominant antiferromagnetic interactions. At $T_{\rm...
Article
We have synthesized polycrystalline and single crystal samples of Sr4Nb2O9 and Sr5Nb2O10 and revisited the crystal structure of the high-temperature cubic phase. By careful analysis of single-crystal X-ray diffraction (SXRD), powder synchrotron X-ray diffraction (Syn-PXRD) and powder neutron diffraction (PND) data, we arrive at a structure model in...
Article
Super Invar (SIV), i.e., zero thermal expansion of metallic materials underpinned by magnetic ordering, is of great practical merit for a wide range of high precision engineering. However, the relatively narrow temperature window of SIV in most materials restricts its potential applications in many critical fields. Here, we demonstrate the controll...
Article
Full-text available
The design of new composite materials using extreme biomimetics is of crucial importance for bioinspired materials science. Further progress in research and application of these new materials is impossible without understanding the mechanisms of formation, as well as structural features at the molecular and nano-level. It presents a challenge to ob...
Article
Full-text available
Dimensionality is a critical factor in determining the properties of solids and is an apparent built-in character of the crystal structure. However, it can be an emergent and tunable property in geometrically frustrated spin systems. Here, we study the spin dynamics of the tetrahedral cluster antiferromagnet, pharmacosiderite, via muon spin resonan...
Preprint
Full-text available
Dimensionality is a critical factor in determining the properties of solids and is an apparent built-in character of the crystal structure. However, it can be an emergent and tunable property in geometrically frustrated spin systems. Here, we study the spin dynamics of the tetrahedral cluster antiferromagnet, pharmacosiderite, via muon spin resonan...
Article
Full-text available
Crystallographically complex compounds often possess peculiar physical properties, the evolution of which can be tracked by changing one of the constituent elements at a time. We report the discovery and synthesis of isotypic R4Be33Pt16 (R = Y, La–Nd, Sm–Lu) compounds, which crystallize with the noncentrosymmetric cubic space group I4¯3d. The latti...
Article
Two-dimensional (2D) layered magnetic materials are generating a great amount of interest for the next generation of electronic devices thanks to their remarkable properties associated with spin dynamics. The recently discovered layered VI3 ferromagnetic phase belongs to this family, although a full understanding of its properties is limited by the...
Article
Full-text available
The structure of lead-technetium pyrochlore has been refined in space group F d 3 ¯ m with a = 10.36584(2) Å using a combination of synchrotron X-ray and neutron powder diffraction data and confirmed via Electron Diffraction. The oxide is found to be oxygen deficient with a stoichiometry of Pb2Tc2O7-d. Displacive disorder of the Pb cations is evide...
Article
Li‐rich layered oxide materials are considered promising candidates for high‐capacity cathodes for battery applications and improving the reversibility of the anionic redox reaction is the key to exploiting the full capacity of these materials. However, permanent structural change of the electrode occurring upon electrochemical cycling results in c...
Article
The long-range (average) and short-range (local) structures in the Yb2(Ti2-xYbx)O7-x/2 (x = 0.00–0.67) series were studied using a combination of diffraction and spectroscopic techniques. The average structure, established from synchrotron X-ray and neutron powder diffraction data, shows the development of multiphase regions from x = 0.134 and the...
Article
The exploitation of high energy and high power densities cathode materials for sodium ion batteries is a challenge. Na-super-ionic-conductor (NASICON) Na4MnV(PO4)3 is one of promising high-performance and low-cost cathode materials, however, still suffers from not reaching the theoretical capacity, low rate capability, and poor cycling stability. I...
Article
Full-text available
Ternary intermetallic compound Pr2Co0.86Si2.88 has been synthesized in single phase and characterized by x-ray diffraction, scanning electron microscopy with energy dispersive x-ray spectroscopy (SEM-EDX) analysis, magnetization, heat capacity, neutron diffraction and muon spin rotation/relaxation (μSR) measurements. The polycrystalline compound wa...
Article
The impact of Ta doping on two orthoniobates SmNbO4 and HoNbO4 has been studied using a combination of high-resolution powder diffraction and Density-Functional Theory calculations. In both ANb1-xTaxO4 (A = Sm, Ho) series the unit cell volume decreases as the Ta content increased demonstrating that the effective ionic radii of Ta is smaller than th...
Article
Full-text available
Variable current rate operando XRD experiments were performed on the P2‐ Na2/3Mn0.8Zn0.1Cu0.1O2 composition, which displays promising electrochemical properties. The data reveals the reversible formation of a new and previously undetected ordering reflection upon extraction of Na‐ions, and that small compositional alterations may dramatically impac...
Article
An electron and joint neutron and X-ray diffraction study of the synthetic copper/chromium phosphate NaCuCr2(PO4)3 (NaCuP) is reported. A noncentrosymmetric Imm2 space group belonging to the well-known α-CrPO4 type is observed contrary to what is reported in NaMCr2(PO4)3 (M = Co and Ni) phosphates. The structural model is validated by bond valence...
Article
Tetradymite-type Bi2Se3 is synthesised via a solid-state method, and its phase evolution in Li, Na and K half-cells is experimentally investigated. Ex-situ X-ray diffraction data is analysed with the Rietveld method, indicating intercalation, conversion and alloying reactions for all systems. Direct evidence of alloying is observed in the cases of...
Article
AlB2-type ternary intermetallic compound Tb2Ni0.90Si2.94 (space group P6/mmm,hP3, No. 191) was reported to exhibit spin freezing behaviour of the ferromagnetic clusters present in the system below Tf=9.9 K, along with the presence of spatially limited antiferromagnetic phase. In this work, on the basis of variable temperature zero-field neutron dif...
Article
The phase formation, structures, microstructures, uranium valences and magnetic properties of LnUO4 (Ln = Dy and Ho) were investigated. Although sintering of the precursors in argon at 1450 °C for seven days and 1400 °C for six hours both resulted in the desired phase, sintering at higher temperature for longer duration led to the formations of wel...
Article
Identifying descriptors linked to Li⁺ conduction enables rational design of solid state electrolytes (SSEs) for advanced lithium ion batteries, but it is hindered by the diverse and confounding descriptors. To address this, by integrating global and local effects of Li⁺ conduction environment, we develop a generic method of hierarchically encoding...
Article
Full-text available
The dependence on lithium-ion batteries leads to a pressing demand for advanced cathode materials. We demonstrate a new concept of layered-rocksalt intergrown structure that harnesses the combined figures of merit from each phase, including high capacity of layered and rocksalt phases, good kinetics of layered oxide and structural advantage of rock...
Preprint
Full-text available
Two-dimensional (2D) layered magnetic materials are generating a great amount of interest for the next generation of electronic devices thanks to their remarkable properties associated to spin dynamics. The recently discovered layered VI$_3$ ferromagnetic phase belongs to this family, although a full understanding of its properties is limited by an...
Article
Rational design of solid-state electrolytes (SSEs) with high ionic conductivity and low activation energy (Ea) is vital for all solid-state batteries. Machine learning (ML) techniques have recently been successful in predicting Li⁺ conduction property in SSEs with various descriptors and accelerating the development of SSEs. In this work, we extend...
Preprint
Insertion compounds provide the fundamental basis of today’s commercialized Li-ion batteries. Throughout history, intense research has focus on the design of stellar electrodes mainly relying on layered oxides or sulfides, and leaving aside the corresponding halides because of solubility issues. This is no longer true. In this work, we show for the...
Article
The long-range average and short-range local structures in the Tm2(Ti2-xTm x )O7-x/2 (x = 0.00-0.67) series were studied using a combination of diffraction and spectroscopic techniques. The long-range average structure, established from synchrotron X-ray and neutron powder diffraction data, shows the development of multiphase regions from x = 0.134...
Article
Full-text available
Sodium ion batteries, because of their sustainability attributes, could be an attractive alternative to Li-ion technology for specific applications. However, it remains challenging to design high energy density and moisture stable Na-based positive electrodes. Here, we report an O3-type NaLi1/3Mn2/3O2 phase showing anionic redox activity, obtained...
Article
Tetradymite-type Sb2Te3 is synthesised via a solid-state method, and its electrochemical phase evolution in Li, Na and K half-cells is experimentally investigated. Ex-situ X-ray diffraction data is analysed with the Rietveld method, revealing the occurrence of conversion reactions for all systems. Direct evidence of alloying and intercalation react...