Superconductivity Versus Magnetism in the Amorphous Palladium “Ides”: Pd1−c(H/D/T)c

Rodríguez, Isaías; Valladares, R.M.; Hinojosa‐Romero, David; Valladares, Ariel A.

doi:10.1007/s10909-022-02807-8

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“…A metal with paramagnetism fully corroborated in the crystalline state, experiences the promotion of electrons from the full d-band to the energetically near s-state due to the closeness of the energy levels involved. Palladium has also manifested magnetic properties of the ferro-type when expanded, [2] when amorphized [3] and when contaminated with hydrogen, deuterium, or tritium, [4] or with Si. [1] On the other hand, silicon is a semiconductor in the condensed crystalline and amorphous states with an energy gap of the order of 1 eV.…”

Section: Introductionmentioning

confidence: 99%

Short‐Range Atomic Topology of Ab Initio Generated Amorphous PdSi Alloys

Rodríguez

Valladares

Hinojosa‐Romero

et al. 2023

Advcd Theory and Sims

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Since the pioneering efforts of Duwez and co-workers in 1965, when a solid amorphous phase of palladium-silicon (a-PdSi) was obtained in the vicinity of the eutectic concentration, much work has been done. However, some points related to the atomic structures remain to be systematized. In this work, 8 amorphous Pd 100-c Si c alloys (c = 2.5, 5, 10, 13.34, 15, 17.5, 20, and 22 at%) are generated by molecular dynamics ab initio simulations; the short-range structure is analyzed using several correlation functions, like Pair Distribution Functions, reduced Pair Distribution Functions, Plane Angle Distribution Functions. Other related properties, like nearest-neighbors and some Frank-Kasper polyhedra are reported. The generated samples correctly reproduce the scarce experimental pair correlation functions that are reported in the literature. An unexpected outcome is the appearance of structural changes in the neighborhood of Pd 86.66 Si 13.34.

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