Phase Transition and Electronic Structures of All-d-Metal Heusler-Type X2MnTi Compounds (X = Pd, Pt, Ag, Au, Cu, and Ni)

Phase Transition and Electronic Structures of All-d-Metal Heusler-Type X2MnTi Compounds (X = Pd, Pt, Ag, Au, Cu, and Ni)

In this work, we investigated the phase transition and electronic structures of some newly designed all-d-metal Heusler compounds, X2MnTi (X = Pd, Pt, Ag, Au, Cu, and Ni), by means of the first principles. The competition between the XA and L21 structures of these materials was studied, and we found...

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Bibliographic Details
Main Authors: Mengxin Wu, Feng Zhou, Rabah Khenata, Minquan Kuang, Xiaotian Wang
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-12-01
Series:Frontiers in Chemistry
Subjects:
spintronic
electronic structure
DFT
electronic properties
Heusler alloys
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2020.546947/full

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