DFT investigations on the electronic structure, magnetism, thermodynamic and elastic properties of newly predicted cobalt based antiperovskites: Co3XN (X = Pd, Pt & Rh)

DFT investigations on the electronic structure, magnetism, thermodynamic and elastic properties of newly predicted cobalt based antiperovskites: Co3XN (X = Pd, Pt & Rh)

In this report, we have applied the muffin tin orbital method within full-potential linearized augmented plane wave approximation to investigate the intricate details of the electronic structure, elastic properties and magnetism of antiperovskite compounds Co3XN with X  = Rh, Pd and Sn. The detailed...

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Bibliographic Details
Main Authors: Shakeel Ahmad Khandy, Ishtihadah Islam, Kulwinder Kaur, Amel Laref, Shobhna Dhiman, Seemin Rubab, Dinesh C. Gupta, Rabah Khenata
Format: Article
Language:English
Published: Elsevier 2020-06-01
Series:Results in Physics
Subjects:
Antiperovskite
Ferromagnetism
Ductile
Electronic structure
DFT
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379720308925

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