Site preference and tetragonal distortion in palladium-rich Heusler alloys

Site preference and tetragonal distortion in palladium-rich Heusler alloys

In this work, two kinds of competition between different Heusler structure types are considered, one is the competition between XA and L21 structures based on the cubic system of full-Heusler alloys, Pd2YZ (Y = Co, Fe, Mn; Z = B, Al, Ga, In, Tl, Si, Ge, Sn, Pb, P, As, Sb). Most alloys prefer the L21...

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Bibliographic Details
Main Authors: Mengxin Wu, Yilin Han, A. Bouhemadou, Zhenxiang Cheng, R. Khenata, Minquan Kuang, Xiangjian Wang, Tie Yang, Hongkuan Yuan, Xiaotian Wang
Format: Article
Language:English
Published: International Union of Crystallography 2019-03-01
Series:IUCrJ
Subjects:
full-Heusler alloys
L21 structures
XA structures
tetragonal distortion
computational modeling
inorganic materials
density functional theory
structure prediction
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2052252518017578

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http://scripts.iucr.org/cgi-bin/paper?S2052252518017578

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