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Debye–Wang quasi-harmonic modeling, dynamical stability, and elastic anisotropy of Ni--Zr and Ni--Hf intermetallics from first principles

https://doi.org/10.2139/ssrn.7442003

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Outgoing claims: the papers this work cites, builds on, or argues with.

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A simplified method for calculating the debye temperature from elastic constants

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Ni-Zr amorphous alloys: Low temperature specific heat and superconductivity

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First-principles study of the thermodynamic properties and electronic structure of compounds from Hf–Ni phase system

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Investigations on the structural, elastic and electronic properties of the orthorhombic Zirconium–Nickel alloy under different pressure

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Metal hydride hydrogen compressors: A review

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First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni–Zr intermetallic compounds

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Thermodynamic modelling of the Ni–Zr system

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Thermal evolution of nanocrystalline co-sputtered Ni–Zr alloy films: Structural, magnetic and MD simulation studies

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Identification of phase components in Zr-Ni and Hf-Ni intermetallic compounds; investigations by perturbed angular correlation spectroscopy and first principles calculations

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A review on the aqueous chemistry of Zr(IV) and Hf(IV) and their separation by solvent extraction

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Elastic properties of antiperovskite-type Ni-rich nitrides MNNi3 (M=Zn, Cd, Mg, Al, Ga, In, Sn, Sb, Pd, Cu, Ag and Pt) as predicted from first-principles calculations

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First principles phonon calculations in materials science

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A DFT exploration of the stabilities, physical properties, and tensile strength of new synthesized Nb2AC (A=Ni and Co) MAX phases

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A first-principles based description of the Hf-Ni system supported by high-temperature synchrotron experiments

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Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids

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Intercalation-dependent elastic properties of transition metal dichalcogenides

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Magnetic Characteristics of ZrNi5 and HfNi5 and Some Lanthanide—Nickel Compounds Having the Th7Ni3 Structure

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Study of the enthalpies of formation and crystallization in the system Zr-Ni

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Electronic structure and electron-phonon coupling in the Ni-Zr system

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Electronic and lattice properties of the Zr-Ni compounds-comparison with their amorphous counterparts

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The Elastic Behaviour of a Crystalline Aggregate

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Self-Consistent Equations Including Exchange and Correlation Effects

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Special points for Brillouin-zone integrations

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Effects of short-range order on electronic properties of Zr-Ni glasses as seen from low-temperature specific heat

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Electronic band structure of zirconia and hafnia polymorphs from the GW perspective

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Optimized norm-conserving Vanderbilt pseudopotentials

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The Current Status of Hydrogen Storage Alloy Development for Electrochemical Applications

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