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High-entropy hydrides for fast and reversible hydrogen storage at room temperature: Binding-energy engineering via first-principles calculations and experiments

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https://doi.org/10.1016/j.actamat.2022.118117

Calculations of energies of mixing of atoms in α- and γ-phases of Fe-Ni alloys by ab initio modeling method

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The Physics of Metals and Metallography 114 (1) 1 (2013)
https://doi.org/10.1134/S0031918X13010080

The effect of carbon distribution on the manganese magnetic moment in bcc Fe–Mn alloy

N I Medvedeva, D C Van Aken and J E Medvedeva
Journal of Physics: Condensed Matter 23 (32) 326003 (2011)
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Adhesion of ultrathin ZrO2(111) films on Ni(111) from first principles

A. Christensen and Emily A. Carter
The Journal of Chemical Physics 114 (13) 5816 (2001)
https://doi.org/10.1063/1.1352079

Observation of the fcc-to-bcc Bain transformation in epitaxial Fe ultrathin films on Cu 3 Au( 001 )

B. Roldan Cuenya, M. Doi, S. Löbus, R. Courths and W. Keune
Surface Science 493 (1-3) 338 (2001)
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Premartensitic and martensitic phase transitions in ferromagnetic Ni_{2}MnGa

Alfons Gonzàlez-Comas, Eduard Obradó, Lluís Mañosa, et al.
Physical Review B 60 (10) 7085 (1999)
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Ab initio full-potential study of the structural and magnetic phase stability of iron

H. Herper, E. Hoffmann and P. Entel
Physical Review B 60 (6) 3839 (1999)
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