<i>c</i>-axis hopping conductivity in heavily Pr-doped YBCO single crystals

Вовк, Р. В.; Vovk, N. R.; Shekhovtsov, O V; Goulatis, Ι. L.; Chroneos, Alexander

doi:10.1088/0953-2048/26/8/085017

Cited by 73 publications

(30 citation statements)

References 23 publications

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“…the energy barriers for diffusion) [16][17][18][19]. Controlling point defects such as vacancies is important for semiconductors, superconductors, and oxides [20][21][22][23][24][25][26][27][28]. A way to defect engineer the concentration and clustering of point defects in the anion sublattice (for example oxygen vacancies) is via the introduction of dopants.…”

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confidence: 99%

Defect processes in Li2ZrO3: insights from atomistic modelling

Kordatos

Christopoulos

Kelaidis

et al. 2017

J Mater Sci: Mater Electron

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density functional theory (DFT) simulations in conjunction with experimental nuclear magnetic resonance (NMR) in order to investigate the Li ion migration mechanisms. Disorder in the anion sublattice can impact the material properties and the diffusion of point defects [14,15]. This is a common future in energy related materials where intrinsic disorder and doping can influence the formation (i.e. concentration of point defects mediating diffusion) and the migration (i.e. the energy barriers for diffusion) [16][17][18][19]. Controlling point defects such as vacancies is important for semiconductors, superconductors, and oxides [20][21][22][23][24][25][26][27][28]. A way to defect engineer the concentration and clustering of point defects in the anion sublattice (for example oxygen vacancies) is via the introduction of dopants. This is effectively to maintain charge balance in the lattice [29]. For example the introduction of two trivalent dopants in the tetravalent cerium site in CeO 2 can be charge balanced by the formation of an oxygen vacancy. Therefore the introduction of trivalent dopants in CeO 2 is an efficient way to form oxygen vacancies at concentrations higher than the equilibrium concentration [29].Atomistic simulation is an efficient and powerful way to understand the energetics of point defects in energy materials [30][31][32]. The main aim of the present study is to systematically investigate the intrinsic defect processes and impact of doping in Li 2 ZrO 3 using DFT. In particular, we consider here divalent (Mg, Zn, Ca, Cd, Sr, Ba), trivalent (Al, Ga, Sc, In, Y) and tetravalent (Si, Ge, Ti, Sn, Pb, Ce) substitutionals and their association with oxygen vacancies.Abstract Lithium zirconate (Li 2 ZrO 3 ) is an important material that is considered as an anode in lithium-ion batteries and as a nuclear reactor breeder material. The intrinsic defect processes and doping can impact its material properties. In the present study we employ density functional theory calculations to calculate the defect processes and doping in Li 2 ZrO 3 . Here we show that the lithium Frenkel is the dominant intrinsic defect process and that dopants substituting in the zirconium site strongly associate with oxygen vacancies. In particular, it is calculated that divalent dopants more strongly bind with oxygen vacancies, with trivalent dopants following in binding energies and even tetravalent dopands having significant binding energies. The results are discussed in view of the application of Li 2 ZrO 3 in energy applications.

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confidence: 99%

Defect processes in Li2ZrO3: insights from atomistic modelling

Kordatos

Christopoulos

Kelaidis

et al. 2017

J Mater Sci: Mater Electron

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“…In the past few decades of the miniaturization of devices, the introduction of more structurally complicated materials in conjunction with demanding processing and operating conditions have made the study of defects in materials increasingly important [1][2][3][4][5][6][7][8][9][10]. There is no single recipe of how to treat materials and what is the optimum concentration of defects.…”

Section: Introductionmentioning

confidence: 99%

Toward Defect Engineering Strategies to Optimize Energy and Electronic Materials

et al. 2017

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Abstract:The technological requirement to optimize materials for energy and electronic materials has led to the use of defect engineering strategies. These strategies take advantage of the impact of composition, disorder, structure, and mechanical strain on the material properties. In the present review, we highlight key strategies presently employed or considered to tune the properties of energy and electronic materials. We consider examples from electronic materials (silicon and germanium), photocatalysis (titanium oxide), solid oxide fuel cells (cerium oxide), and nuclear materials (nanocomposites).

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“…As a result, the latter are still unchallenged regarding their application to obtain high magnetic fields. Concurrently, in recent years there is significant progress in improving the critical current density in various types of HTSC compounds, mainly due to the optimization of the composition and the morphology of the defect ensemble [5,[9][10][11][12][13][14][15].…”

Section: Introductionmentioning

confidence: 99%

Effect of Hafnium Impurities on the Magnetoresistance of $$\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\delta }$$ YBa 2 Cu 3 O 7 - δ

et al. 2016

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In the present study, we investigate the influence of the hafnium (Hf) impurities on the magnetoresistance of YBa 2 Cu 3 O 7−δ ceramic samples in the temperature interval of the transition to the superconducting state in constant magnetic field up to 12 T. The cause of the appearance of low-temperature "tails" (paracoherent transitions) on the resistive transitions, corresponding to different phase regimes of the vortex matter state is discussed. At temperatures higher than the critical temperature (T > T c ), the temperature dependence of the excess paraconductivity can be described within the Aslamazov-Larkin theoretical model of the fluctuation conductivity for layered superconductors.

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c-axis hopping conductivity in heavily Pr-doped YBCO single crystals

Cited by 73 publications

References 23 publications

Defect processes in Li2ZrO3: insights from atomistic modelling

Defect processes in Li2ZrO3: insights from atomistic modelling

Toward Defect Engineering Strategies to Optimize Energy and Electronic Materials

Effect of Hafnium Impurities on the Magnetoresistance of $$\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\delta }$$ YBa 2 Cu 3 O 7 - δ

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