Selected Values of the Thermodynamic Properties of Scandium, Yttrium, and the Lanthanide Elements

Arblaster, John W.

doi:10.1016/b978-0-444-59536-2.00005-2

Cited by 8 publications

(10 citation statements)

References 260 publications

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“…50 Since the film is unconstrained in the normal direction, the stress normal to the film is s = 0. and 60 nm-thick Ru(0001) seed layers are thus 9.6% and 7.9%, respectively, for a hexagon-on-hexagon orientation relationship of Co and Ru. 41 These misfit strains are exceptionally large relative to other epitaxial layers such as epitaxial Si 1−x Ge x on Si ( m = 1.1% for x = 0.3) 42,43 and Al x Ga 1−x N on AlN ( m = 0.9% for x = 0.37). 44 Thus, the computed stored elastic strain energy per unit volume w and in-plane biaxial tensile stresses in the Co layers deposited on the two seed layers are extremely large.…”

Section: Resultsmentioning

confidence: 99%

Influence of the Seed Layer and Electrolyte on the Epitaxial Electrodeposition of Co(0001) for the Fabrication of Single Crystal Interconnects

Gusley¹,

Ezzat²,

Coffey³

et al. 2020

J. Electrochem. Soc.

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Co electrodeposition was performed onto single crystal Ru(0001) and polycrystalline Ru films to study the influence of such seed layers on the growth of epitaxial Co(0001). The effect of misfit strain on the electrodeposited Co(0001) films was studied using 60 and 10 nm-thick Ru(0001) seed layers, where the misfit strains of the Co layer on the two Ru(0001) seed layers are 7.9% and 9.6%, respectively. Despite a large misfit strain of 7.9%, the planar growth of Co(0001) was achieved up to a thickness of 42 nm before a transition to island growth was observed. Epitaxial Co films electrodeposited onto 10 nm Ru(0001) showed increased roughness when compared with Co electrodeposited onto the 60 nm seed layer. Co electrodeposition onto polycrystalline Ru resulted in a rough, polycrystalline film with faceted growth. Electrochemical experiments and simulations were used to study the influence of [Co2+] and solution pH on the throughput of the electrodeposition process. By increasing [Co2+] from 1 to 20 mM, the deposition rate of Co(0001) increased from 0.23 nm min−1 to 0.88 nm min−1 at an applied current density of −80 μA cm−2.

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Section: Resultsmentioning

confidence: 99%

Influence of the Seed Layer and Electrolyte on the Epitaxial Electrodeposition of Co(0001) for the Fabrication of Single Crystal Interconnects

Gusley¹,

Ezzat²,

Coffey³

et al. 2020

J. Electrochem. Soc.

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show abstract

“…The values of the basic properties of the chosen elements -lattice types, atomic masses, valence electrons, atomic radii, Pauling electronegativity and melting temperatures -are taken from the literature [30,31,33,34] and are listed in Table 1. The average atomic size (rave) and the related atomic size difference (δ) according to Equations 1 and 2, the average values of mixing enthalpies for each element (Equation 3b) and average value of heat of mixing for the equiatomic 20e system via Equation 3a, and average melting temperature based on the melting points of the elements [33], as well as difference of electronegativity values (Equation 4) are also included in Table 1.…”

Section: Basic and Collective Properties Of The 20 Elementsmentioning

confidence: 99%

“…The content is 5 at.% for each element. The length of the cubic supercell was determined by the volumes of the input atoms with consideration of thermal expansion at the simulation temperatures [34]. In this way a cubic cell with a = 16.49 Å was built for the 200-atom system.…”

Section: Details Of Ab Initio Molecular Dynamics Simulationsmentioning

confidence: 99%

“…We first produced a liquid using a single component, namely Al which has a moderate melting temperature (944.5 K [34]) by equilibrating at 5000 K for 2000 steps (1.5 fs(femosecond) per step). Then, we replaced randomly the Al atoms by the 20 elements similar to the method of preparing random O/N distributions in the BaTaO2N perovskite [37].…”

Section: Details Of Ab Initio Molecular Dynamics Simulationsmentioning

confidence: 99%

“…In this way we can obtain results of statistical meaning [38,39]. The volumes of the 20e-HEAA systems at different temperatures were determined by the results of the NPT approach [40,41] which was implanted into the first-principles package VASP (Vienna Ab initio Simulation Package) [42,43] using experimental data at the different temperatures [34].…”

Section: Details Of Ab Initio Molecular Dynamics Simulationsmentioning

confidence: 99%

See 2 more Smart Citations

An Equiatomic 20-Element High Entropy Amorphous Alloy: Ab Initio Molecular Dynamics Investigations

Fang,

Cantor

2024

Preprint

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Sustainable development of our society demands recycling of metallic wastes which may contain a variety of metallic impurities. Thus, it is desirable to develop a ‘universal’ structure, such as an amorphous alloy tolerating high concentrations of metallic pollutants. We performed ab initio molecular dynamics simulations to manufacture a novel multicomponent amorphous alloy of twenty elements (20e-HEAA). Analysis reveals both topological and chemical compositional short-range ordering in the obtained 20e-HEAA and formation of B-B clusters. Electronic structure calculations reveal the metallic nature of the amorphous alloy with its Fermi level falling in a valley in the density of states. Moreover, the Zn 3d and Cd 4d electrons exhibit a localized nature and thus, should be excluded from the valence electron concentration (VEC) analysis in the study of high-entropy alloys. The information obtained here is helpful to get insight into multicomponent high entropy materials, especially multicomponent high-entropy amorphous alloys as potential circular metals.

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Critical Evaluation of the Standard Molar Entropies, Enthalpies of Formation, Gibbs Energies of Formation and Heat Capacities of the Aqueous Trivalent Rare Earth Ions, and the Corresponding Standard Molar Entropies, Enthalpies of Formation and Gibbs Energies of Formation of the Thermodynamically Stable RECl3·7H2O(cr) and RECl3·6H2O(cr)

Rard

2016

J Solution Chem

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Selected Values of the Thermodynamic Properties of Scandium, Yttrium, and the Lanthanide Elements

Cited by 8 publications

References 260 publications

Influence of the Seed Layer and Electrolyte on the Epitaxial Electrodeposition of Co(0001) for the Fabrication of Single Crystal Interconnects

Influence of the Seed Layer and Electrolyte on the Epitaxial Electrodeposition of Co(0001) for the Fabrication of Single Crystal Interconnects

An Equiatomic 20-Element High Entropy Amorphous Alloy: Ab Initio Molecular Dynamics Investigations

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