Skip to main content
main-content

Tipp

Weitere Artikel dieser Ausgabe durch Wischen aufrufen

27.01.2020 | ICFSMA 2019 | Ausgabe 1/2020

Shape Memory and Superelasticity 1/2020

First-Principles Study of the Structure and Properties of Fe3Pd and Fe–Pd–Rh Alloys

Zeitschrift:
Shape Memory and Superelasticity > Ausgabe 1/2020
Autoren:
Oksana Pavlukhina, Vladimir Sokolovskiy, Vasiliy Buchelnikov, Mikhail Zagrebin
Wichtige Hinweise

Electronic supplementary material

The online version of this article (https://​doi.​org/​10.​1007/​s40830-020-00268-0) contains supplementary material, which is available to authorized users.
This article is an invited submission to Shape Memory and Superelasticity selected from presentations at the International Conference on Ferromagnetic Shape Memory Alloys (ICFSMA) held June 2–7, 2019 in Prague, Czech Republic, and has been expanded from the original presentation.

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Abstract

In the present work, the structural, magnetic and electronic properties of Rh-doped Fe–Pd alloys were studied by means of the first-principles approach. The calculations of the lattice parameters, formation energy, magnetic moments and total and partial densities of states were performed for ordered Fe70Pd30, Fe75Pd25, Fe50Pd50, Fe50Pd43.75Rh6.25, Fe50Pd37.5Rh12.5 compositions and disordered Fe75Pd25 one, which were formed by 16-atom supercell approach. It is shown that face-centered tetragonal structure is stable for all considered compositions instead of Fe70Pd30 and Fe75Pd25. For the latter, the disordered base-centered tetragonal structure is found to be favorable. Besides, the Rh addition results in decrease in the tetragonal ratio and to increase in the total magnetic moment.

Bitte loggen Sie sich ein, um Zugang zu diesem Inhalt zu erhalten

Zusatzmaterial
Nur für berechtigte Nutzer zugänglich
Literatur
Über diesen Artikel

Weitere Artikel der Ausgabe 1/2020

Shape Memory and Superelasticity 1/2020 Zur Ausgabe

Premium Partner

    Marktübersichten

    Die im Laufe eines Jahres in der „adhäsion“ veröffentlichten Marktübersichten helfen Anwendern verschiedenster Branchen, sich einen gezielten Überblick über Lieferantenangebote zu verschaffen. 

    Bildnachweise